N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide

C26H48N4O3 — CID 140515774

IUPACN-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
SMILESCOC1CCC(C2CNC(NC3CCC(C(=O)NCC(O)C4CCCCC4)CC3)NC2)CC1
InChIInChI=1S/C26H48N4O3/c1-33-23-13-9-18(10-14-23)21-15-28-26(29-16-21)30-22-11-7-20(8-12-22)25(32)27-17-24(31)19-5-3-2-4-6-19/h18-24,26,28-31H,2-17H2,1H3,(H,27,32)
InChIKeyZKEAFKWWAUHWSY-UHFFFAOYSA-N
MW464.70 g/mol
LogP2.49
Rot. Bonds8

About N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide

N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide (PubChem CID 140515774) has the molecular formula C26H48N4O3 and a molecular weight of 464.70 g/mol. Its IUPAC name is N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
PubChem CID140515774
Molecular FormulaC26H48N4O3
Molecular Weight464.70 g/mol
Exact Mass464.37
IUPAC NameN-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
SMILESCOC1CCC(C2CNC(NC3CCC(C(=O)NCC(O)C4CCCCC4)CC3)NC2)CC1
InChIInChI=1S/C26H48N4O3/c1-33-23-13-9-18(10-14-23)21-15-28-26(29-16-21)30-22-11-7-20(8-12-22)25(32)27-17-24(31)19-5-3-2-4-6-19/h18-24,26,28-31H,2-17H2,1H3,(H,27,32)
InChIKeyZKEAFKWWAUHWSY-UHFFFAOYSA-N
XLogP2.49
TPSA94.65 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.70
LogP ≤ 52.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-amino-2-oxoethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
CID 140516046
N-(3-imidazol-1-ylpropyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide
CID 140515752
1-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexanecarbonyl]piperidine-4-carboxamide
CID 140515803
[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-[4-(oxolane-2-carbonyl)piperazin-1-yl]methanone
CID 140516044
5-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]-2,2,3-trimethylpentanoic acid
CID 140541546
tert-butyl 2-[[4-[2-[[4-[2-[bis(2-hydroxypropyl)amino]ethoxy]cyclohexyl]amino]-1,3-diazinan-5-yl]cyclohexanecarbonyl]amino]acetate
CID 140515813
1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidine-4-carboxamide
CID 140515938
N-(2-cyclohexyl-2-hydroxyethyl)pyrrolidine-3-carboxamide
CID 119731741
methyl 2-[1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]ethyl]piperidin-4-yl]acetate
CID 140516012
N-[4-[2-(diethylamino)ethylsulfonyl]cyclohexyl]-5-(4-methoxycyclohexyl)-1,3-diazinan-2-amine
CID 140515827
methyl (2S,4R)-4-hydroxy-1-[2-[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]oxyethyl]pyrrolidine-2-carboxylate
CID 140515777
N-[1-[[4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexyl]methyl]pyrrolidin-3-yl]-N-methylacetamide
CID 140515848

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide (CID 140515774) is N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide is COC1CCC(C2CNC(NC3CCC(C(=O)NCC(O)C4CCCCC4)CC3)NC2)CC1.
What is the InChIKey of N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide?
The InChIKey is ZKEAFKWWAUHWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H48N4O3/c1-33-23-13-9-18(10-14-23)21-15-28-26(29-16-21)30-22-11-7-20(8-12-22)25(32)27-17-24(31)19-5-3-2-4-6-19/h18-24,26,28-31H,2-17H2,1H3,(H,27,32).
What are the key properties of N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide?
N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide has a molecular weight of 464.70 g/mol, XLogP of 2.49, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-2-hydroxyethyl)-4-[[5-(4-methoxycyclohexyl)-1,3-diazinan-2-yl]amino]cyclohexane-1-carboxamide is sourced from PubChem (CID 140515774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).