N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride

C15H22ClN3O2 — CID 119280076

IUPACN-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
SMILESCC(=O)Nc1cccc(CNC(=O)C2(N)CCCC2)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(19)18-13-6-4-5-12(9-13)10-17-14(20)15(16)7-2-3-8-15;/h4-6,9H,2-3,7-8,10,16H2,1H3,(H,17,20)(H,18,19);1H
InChIKeyBQNOLQSMXBECJU-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.95
Rot. Bonds4

About N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride

N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride (PubChem CID 119280076) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
PubChem CID119280076
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC NameN-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride
SMILESCC(=O)Nc1cccc(CNC(=O)C2(N)CCCC2)c1.Cl
InChIInChI=1S/C15H21N3O2.ClH/c1-11(19)18-13-6-4-5-12(9-13)10-17-14(20)15(16)7-2-3-8-15;/h4-6,9H,2-3,7-8,10,16H2,1H3,(H,17,20)(H,18,19);1H
InChIKeyBQNOLQSMXBECJU-UHFFFAOYSA-N
XLogP1.95
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamidophenyl)methyl]-1-aminocyclopropane-1-carboxamide
CID 119706274
1-amino-N-[[3-(dimethylcarbamoylamino)phenyl]methyl]cyclopentane-1-carboxamide
CID 119334714
1-amino-N-[[3-(3-methylbutanoylamino)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301492
1-amino-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]cyclohexane-1-carboxamide
CID 119287309
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]pyrrolidine-1-carboxamide;hydrochloride
CID 119743688
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 103796386
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]cyclobutanecarboxamide
CID 119710727
N-[3-[[(1-aminocyclopropanecarbonyl)amino]methyl]phenyl]-4-methylbenzamide
CID 119740472
1-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 107218429
1-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119327475
1-amino-N-[3-(methoxymethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119288741

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride (CID 119280076) is N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride is CC(=O)Nc1cccc(CNC(=O)C2(N)CCCC2)c1.Cl.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride?
The InChIKey is BQNOLQSMXBECJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2.ClH/c1-11(19)18-13-6-4-5-12(9-13)10-17-14(20)15(16)7-2-3-8-15;/h4-6,9H,2-3,7-8,10,16H2,1H3,(H,17,20)(H,18,19);1H.
What are the key properties of N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride?
N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride has a molecular weight of 311.81 g/mol, XLogP of 1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-1-aminocyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119280076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).