N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide

C21H35N3O2 — CID 166321617

IUPACN-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCC2CCC(CNC(=O)C(C)C#N)CC2)CC1
InChIInChI=1S/C21H35N3O2/c1-3-16-8-10-19(11-9-16)21(26)24-14-18-6-4-17(5-7-18)13-23-20(25)15(2)12-22/h15-19H,3-11,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUHYFCTYQHTVQOV-UHFFFAOYSA-N
MW361.53 g/mol
LogP3.40
Rot. Bonds7

About N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide

N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide (PubChem CID 166321617) has the molecular formula C21H35N3O2 and a molecular weight of 361.53 g/mol. Its IUPAC name is N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide
PubChem CID166321617
Molecular FormulaC21H35N3O2
Molecular Weight361.53 g/mol
Exact Mass361.27
IUPAC NameN-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCC2CCC(CNC(=O)C(C)C#N)CC2)CC1
InChIInChI=1S/C21H35N3O2/c1-3-16-8-10-19(11-9-16)21(26)24-14-18-6-4-17(5-7-18)13-23-20(25)15(2)12-22/h15-19H,3-11,13-14H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyUHYFCTYQHTVQOV-UHFFFAOYSA-N
XLogP3.40
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.53
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

4-(aminomethyl)-N-[(4-ethylcyclohexyl)methyl]cyclohexane-1-carboxamide
CID 62807115
2-cyano-N-[(3,3-difluorocyclobutyl)methyl]propanamide
CID 131181775
4-ethyl-N-[[4-[[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]methyl]cyclohexyl]methyl]cyclohexane-1-carboxamide
CID 167930823
(2S)-2-amino-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 61149083
2-chloro-N-[(4-ethylcyclohexyl)methyl]propanamide
CID 60971476
2-cyano-N-(oxolan-3-ylmethyl)propanamide
CID 62825407
4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-amino-N-[(4-ethylcyclohexyl)methyl]-2-methylbutanamide
CID 80543097
N-[(4-ethylcyclohexyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 48861702
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839
N-(cyclobutylmethyl)cyclopropanecarboxamide
CID 60757387
2-cyano-N-ethylpropanamide
CID 23199183

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide?
The IUPAC name of N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide (CID 166321617) is N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide is CCC1CCC(C(=O)NCC2CCC(CNC(=O)C(C)C#N)CC2)CC1.
What is the InChIKey of N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide?
The InChIKey is UHYFCTYQHTVQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O2/c1-3-16-8-10-19(11-9-16)21(26)24-14-18-6-4-17(5-7-18)13-23-20(25)15(2)12-22/h15-19H,3-11,13-14H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide?
N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide has a molecular weight of 361.53 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-cyanopropanoylamino)methyl]cyclohexyl]methyl]-4-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 166321617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).