N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate

C151H327N3O25 — CID 158577310

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCCC(C(=O)NC(C)(CO)CO)C1.CC(C)C1CCCC(C(=O)NCCO)C1.CC(C)C1CCCCC1.CC(OCOC(C)OC(=O)C1CCCC(C(C)C)C1)OC(=O)C1CCCC(C(C)C)C1.CCNC(=O)C1CCCC(C(C)C)C1.CCOC(C)OC(=O)C1CCCC(C(C)C)C1.CCOC(CC)OC(=O)C1CCCC(C(C)C)C1.CCOC(CC)OC(=O)C1CCCC(C(C)C)C1.CCOC(CC)OC(=O)C1CCCC(C(C)C)C1.O
InChIInChI=1S/C25H44O6.3C15H28O3.C14H27NO3.C14H26O3.C12H23NO2.C12H23NO.C9H18.20CH4.H2O/c1-16(2)20-9-7-11-22(13-20)24(26)30-18(5)28-15-29-19(6)31-25(27)23-12-8-10-21(14-23)17(3)4;3*1-5-14(17-6-2)18-15(16)13-9-7-8-12(10-13)11(3)4;1-10(2)11-5-4-6-12(7-11)13(18)15-14(3,8-16)9-17;1-5-16-11(4)17-14(15)13-8-6-7-12(9-13)10(2)3;1-9(2)10-4-3-5-11(8-10)12(15)13-6-7-14;1-4-13-12(14)11-7-5-6-10(8-11)9(2)3;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;;;;;;;;;;;/h16-23H,7-15H2,1-6H3;3*11-14H,5-10H2,1-4H3;10-12,16-17H,4-9H2,1-3H3,(H,15,18);10-13H,5-9H2,1-4H3;9-11,14H,3-8H2,1-2H3,(H,13,15);9-11H,4-8H2,1-3H3,(H,13,14);8-9H,3-7H2,1-2H3;20*1H4;1H2
InChIKeyRSNXKLCVNAWKDY-UHFFFAOYSA-N
MW2585.27 g/mol
LogP40.92
Rot. Bonds46

About N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate

N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate (PubChem CID 158577310) has the molecular formula C151H327N3O25 and a molecular weight of 2585.27 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate
PubChem CID158577310
Molecular FormulaC151H327N3O25
Molecular Weight2585.27 g/mol
Exact Mass2583.44
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate
SMILESC.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCCC(C(=O)NC(C)(CO)CO)C1.CC(C)C1CCCC(C(=O)NCCO)C1.CC(C)C1CCCCC1.CC(OCOC(C)OC(=O)C1CCCC(C(C)C)C1)OC(=O)C1CCCC(C(C)C)C1.CCNC(=O)C1CCCC(C(C)C)C1.CCOC(C)OC(=O)C1CCCC(C(C)C)C1.CCOC(CC)OC(=O)C1CCCC(C(C)C)C1.CCOC(CC)OC(=O)C1CCCC(C(C)C)C1.CCOC(CC)OC(=O)C1CCCC(C(C)C)C1.O
InChIInChI=1S/C25H44O6.3C15H28O3.C14H27NO3.C14H26O3.C12H23NO2.C12H23NO.C9H18.20CH4.H2O/c1-16(2)20-9-7-11-22(13-20)24(26)30-18(5)28-15-29-19(6)31-25(27)23-12-8-10-21(14-23)17(3)4;3*1-5-14(17-6-2)18-15(16)13-9-7-8-12(10-13)11(3)4;1-10(2)11-5-4-6-12(7-11)13(18)15-14(3,8-16)9-17;1-5-16-11(4)17-14(15)13-8-6-7-12(9-13)10(2)3;1-9(2)10-4-3-5-11(8-10)12(15)13-6-7-14;1-4-13-12(14)11-7-5-6-10(8-11)9(2)3;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;;;;;;;;;;;/h16-23H,7-15H2,1-6H3;3*11-14H,5-10H2,1-4H3;10-12,16-17H,4-9H2,1-3H3,(H,15,18);10-13H,5-9H2,1-4H3;9-11,14H,3-8H2,1-2H3,(H,13,15);9-11H,4-8H2,1-3H3,(H,13,14);8-9H,3-7H2,1-2H3;20*1H4;1H2
InChIKeyRSNXKLCVNAWKDY-UHFFFAOYSA-N
XLogP40.92
TPSA392.67 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds46
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002585.27
LogP ≤ 540.92
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate with MolForge

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Related Compounds

1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;3-propan-2-ylcyclohexane-1-carboxylic acid
CID 91543007
2,4-dimethylpentane;1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate;N-(4-hydroxycyclohexyl)-3-propan-2-ylcyclohexane-1-carboxamide;bis(N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide);methane;4-(3-methylbutyl)cyclohexene;4-methylpentanenitrile;oxan-2-yl 3-propan-2-ylcyclohexane-1-carboxylate
CID 158394112
(1R,3R,7R)-N-ethyl-3-methyl-7-propan-2-ylcyclooctane-1-carboxamide
CID 166985649
N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;4-(3-methylbutyl)cyclohexene;oxan-2-yl 3-propan-2-ylcyclohexane-1-carboxylate
CID 91330316
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 3-propan-2-ylcyclohexane-1-carboxylate
CID 20698001
1-[(3-hydroxycyclohexyl)methoxy]ethyl 3-hydroxycyclohexane-1-carboxylate
CID 89208135
3,3-difluorobutan-2-yl cyclohexanecarboxylate
CID 67967114
cis-(1S,3R)-1-N,3-N-bis(3-ethoxypropyl)cyclohexane-1,3-dicarboxamide
CID 94820992
propan-2-yl 2-(cyclopentanecarbonylamino)acetate
CID 56808767
N-propylcyclooctanecarboxamide
CID 65022755
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate (CID 158577310) is N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate is C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.C.CC(C)C1CCCC(C(=O)NC(C)(CO)CO)C1.CC(C)C1CCCC(C(=O)NCCO)C1.CC(C)C1CCCCC1.CC(OCOC(C)OC(=O)C1CCCC(C(C)C)C1)OC(=O)C1CCCC(C(C)C)C1.CCNC(=O)C1CCCC(C(C)C)C1.CCOC(C)OC(=O)C1CCCC(C(C)C)C1.CCOC(CC)OC(=O)C1CCCC(C(C)C)C1.CCOC(CC)OC(=O)C1CCCC(C(C)C)C1.CCOC(CC)OC(=O)C1CCCC(C(C)C)C1.O.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate?
The InChIKey is RSNXKLCVNAWKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O6.3C15H28O3.C14H27NO3.C14H26O3.C12H23NO2.C12H23NO.C9H18.20CH4.H2O/c1-16(2)20-9-7-11-22(13-20)24(26)30-18(5)28-15-29-19(6)31-25(27)23-12-8-10-21(14-23)17(3)4;3*1-5-14(17-6-2)18-15(16)13-9-7-8-12(10-13)11(3)4;1-10(2)11-5-4-6-12(7-11)13(18)15-14(3,8-16)9-17;1-5-16-11(4)17-14(15)13-8-6-7-12(9-13)10(2)3;1-9(2)10-4-3-5-11(8-10)12(15)13-6-7-14;1-4-13-12(14)11-7-5-6-10(8-11)9(2)3;1-8(2)9-6-4-3-5-7-9;;;;;;;;;;;;;;;;;;;;;/h16-23H,7-15H2,1-6H3;3*11-14H,5-10H2,1-4H3;10-12,16-17H,4-9H2,1-3H3,(H,15,18);10-13H,5-9H2,1-4H3;9-11,14H,3-8H2,1-2H3,(H,13,15);9-11H,4-8H2,1-3H3,(H,13,14);8-9H,3-7H2,1-2H3;20*1H4;1H2.
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate?
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate has a molecular weight of 2585.27 g/mol, XLogP of 40.92, 46 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-propan-2-ylcyclohexane-1-carboxamide;1-ethoxyethyl 3-propan-2-ylcyclohexane-1-carboxylate;tris(1-ethoxypropyl 3-propan-2-ylcyclohexane-1-carboxylate);N-ethyl-3-propan-2-ylcyclohexane-1-carboxamide;N-(2-hydroxyethyl)-3-propan-2-ylcyclohexane-1-carboxamide;methane;propan-2-ylcyclohexane;1-[1-(3-propan-2-ylcyclohexanecarbonyl)oxyethoxymethoxy]ethyl 3-propan-2-ylcyclohexane-1-carboxylate;hydrate is sourced from PubChem (CID 158577310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).