N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride

C16H24ClN3O2 — CID 119277261

IUPACN-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(CNC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(20)19-14-7-5-13(6-8-14)11-18-15(21)16(17)9-3-2-4-10-16;/h5-8H,2-4,9-11,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyZVAPZJQEJGYXMW-UHFFFAOYSA-N
MW325.84 g/mol
LogP2.34
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride

N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride (PubChem CID 119277261) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
PubChem CID119277261
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(CNC(=O)C2(N)CCCCC2)cc1.Cl
InChIInChI=1S/C16H23N3O2.ClH/c1-12(20)19-14-7-5-13(6-8-14)11-18-15(21)16(17)9-3-2-4-10-16;/h5-8H,2-4,9-11,17H2,1H3,(H,18,21)(H,19,20);1H
InChIKeyZVAPZJQEJGYXMW-UHFFFAOYSA-N
XLogP2.34
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
CID 119280076
N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide
CID 119307278
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
4-[[(1-aminocyclohexanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119283610
1-amino-N-[4-(methanesulfonamidomethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119328489
1-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119867290
N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
1-amino-N-[4-(hydroxymethyl)phenyl]cyclohexane-1-carboxamide
CID 113397756
1-amino-N-(4-ethylphenyl)cyclopentane-1-carboxamide
CID 60867224
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 119864752
N-[4-[[(1-hydroxycyclohexyl)methylamino]methyl]phenyl]acetamide
CID 62865493

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride (CID 119277261) is N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride is CC(=O)Nc1ccc(CNC(=O)C2(N)CCCCC2)cc1.Cl.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride?
The InChIKey is ZVAPZJQEJGYXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2.ClH/c1-12(20)19-14-7-5-13(6-8-14)11-18-15(21)16(17)9-3-2-4-10-16;/h5-8H,2-4,9-11,17H2,1H3,(H,18,21)(H,19,20);1H.
What are the key properties of N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride?
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride has a molecular weight of 325.84 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119277261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).