1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide

C22H42N2O2 — CID 67821374

IUPAC1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
SMILESCCCCCCC1(C(N)=O)CCCCC1C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C22H42N2O2/c1-6-7-8-10-13-22(21(23)26)14-11-9-12-19(22)20(25)24(15-17(2)3)16-18(4)5/h17-19H,6-16H2,1-5H3,(H2,23,26)
InChIKeyBUYIKSCXGWMNCY-UHFFFAOYSA-N
MW366.59 g/mol
LogP4.76
Rot. Bonds11

About 1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide

1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide (PubChem CID 67821374) has the molecular formula C22H42N2O2 and a molecular weight of 366.59 g/mol. Its IUPAC name is 1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
PubChem CID67821374
Molecular FormulaC22H42N2O2
Molecular Weight366.59 g/mol
Exact Mass366.32
IUPAC Name1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
SMILESCCCCCCC1(C(N)=O)CCCCC1C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C22H42N2O2/c1-6-7-8-10-13-22(21(23)26)14-11-9-12-19(22)20(25)24(15-17(2)3)16-18(4)5/h17-19H,6-16H2,1-5H3,(H2,23,26)
InChIKeyBUYIKSCXGWMNCY-UHFFFAOYSA-N
XLogP4.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.59
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropyl)cyclohexane-1,2-dicarboxamide
CID 70234749
1-decylcyclohexane-1,2-dicarboxylic acid;2-methylprop-1-ene
CID 159036419
decyl 2-[bis(2-methylpropyl)carbamoyl]cyclohexane-1-carboxylate
CID 593125
1,2-dihexylcyclohexane-1-carboxylic acid
CID 18962215
ethyl 1-hexyl-2-methoxycyclopentane-1-carboxylate
CID 141101003
2-heptyl-1-octylcyclopropane-1-carboxamide
CID 57359731
1-N-[3-[heptyl(methyl)amino]-3-oxopropyl]-1-N-methyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
CID 622301
1-ethyl-2-propan-2-ylcycloheptane-1-carboxamide
CID 57084439
1-decylcyclobutane-1-carboxamide
CID 10037267
2-(1-octylcyclopentyl)propanoic acid
CID 175475945
2-methylpropyl 1-butyl-2-propoxycyclopentane-1-carboxylate
CID 141100879
3-[bis(2-methylpropyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 19165476

Frequently Asked Questions

What is the IUPAC name of 1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
The IUPAC name of 1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide (CID 67821374) is 1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide.
What is the SMILES notation for 1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
The canonical SMILES for 1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide is CCCCCCC1(C(N)=O)CCCCC1C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
The InChIKey is BUYIKSCXGWMNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O2/c1-6-7-8-10-13-22(21(23)26)14-11-9-12-19(22)20(25)24(15-17(2)3)16-18(4)5/h17-19H,6-16H2,1-5H3,(H2,23,26).
What are the key properties of 1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide?
1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide has a molecular weight of 366.59 g/mol, XLogP of 4.76, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexyl-2-N,2-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 67821374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).