N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide

C23H33N3O2 — CID 23823774

IUPACN-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
SMILESNC1CCC(N(Cc2cccc(NC(=O)C3CCCC3)c2)C(=O)C2CC2)CC1
InChIInChI=1S/C23H33N3O2/c24-19-10-12-21(13-11-19)26(23(28)18-8-9-18)15-16-4-3-7-20(14-16)25-22(27)17-5-1-2-6-17/h3-4,7,14,17-19,21H,1-2,5-6,8-13,15,24H2,(H,25,27)
InChIKeyWFRNYLGKZMIQLV-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.82
Rot. Bonds6

About N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide

N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide (PubChem CID 23823774) has the molecular formula C23H33N3O2 and a molecular weight of 383.54 g/mol. Its IUPAC name is N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
PubChem CID23823774
Molecular FormulaC23H33N3O2
Molecular Weight383.54 g/mol
Exact Mass383.26
IUPAC NameN-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide
SMILESNC1CCC(N(Cc2cccc(NC(=O)C3CCCC3)c2)C(=O)C2CC2)CC1
InChIInChI=1S/C23H33N3O2/c24-19-10-12-21(13-11-19)26(23(28)18-8-9-18)15-16-4-3-7-20(14-16)25-22(27)17-5-1-2-6-17/h3-4,7,14,17-19,21H,1-2,5-6,8-13,15,24H2,(H,25,27)
InChIKeyWFRNYLGKZMIQLV-UHFFFAOYSA-N
XLogP3.82
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-aminocyclohexyl)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-3,5-difluorobenzamide
CID 23762833
N-[(3-acetamidophenyl)methyl]-N-(2-aminocyclohexyl)cyclohexanecarboxamide
CID 23790905
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23884328
4-amino-N-cyclopropyl-N-[(3-fluorophenyl)methyl]cyclohexane-1-carboxamide
CID 60939318
N-[3-(chloromethyl)phenyl]cyclooctanecarboxamide
CID 114293358
N-[4-[[(4-aminocyclohexyl)-(cyclohexanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23734806
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
N-[(3-acetamidophenyl)methyl]-N-(4-aminocyclohexyl)-3,3-dimethylbutanamide
CID 23963683
3-amino-N-cyclopropyl-N-[(3-methylphenyl)methyl]cyclopentane-1-carboxamide
CID 66009589
N-[3-[[(2-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]-4-chlorophenyl]cyclopropanecarboxamide
CID 23739109
N-[3-(chloromethyl)phenyl]cyclobutanecarboxamide
CID 114293317
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide (CID 23823774) is N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide is NC1CCC(N(Cc2cccc(NC(=O)C3CCCC3)c2)C(=O)C2CC2)CC1.
What is the InChIKey of N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide?
The InChIKey is WFRNYLGKZMIQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O2/c24-19-10-12-21(13-11-19)26(23(28)18-8-9-18)15-16-4-3-7-20(14-16)25-22(27)17-5-1-2-6-17/h3-4,7,14,17-19,21H,1-2,5-6,8-13,15,24H2,(H,25,27).
What are the key properties of N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide?
N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4-aminocyclohexyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 23823774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).