N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide

C15H21N3O2 — CID 64822288

IUPACN-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C2CCCC2N)cc1
InChIInChI=1S/C15H21N3O2/c1-10(19)18-12-7-5-11(6-8-12)9-17-15(20)13-3-2-4-14(13)16/h5-8,13-14H,2-4,9,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyNBOBTKLFBUFCPL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.39
Rot. Bonds4

About N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide

N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide (PubChem CID 64822288) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide
PubChem CID64822288
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide
SMILESCC(=O)Nc1ccc(CNC(=O)C2CCCC2N)cc1
InChIInChI=1S/C15H21N3O2/c1-10(19)18-12-7-5-11(6-8-12)9-17-15(20)13-3-2-4-14(13)16/h5-8,13-14H,2-4,9,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyNBOBTKLFBUFCPL-UHFFFAOYSA-N
XLogP1.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(4-chlorophenyl)methyl]cyclopentane-1-carboxamide
CID 64823496
2-amino-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 64824475
2-amino-N-[(4-sulfamoylphenyl)methyl]cyclopentane-1-carboxamide
CID 64818110
N-[(4-acetamidophenyl)methyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984718
2-amino-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 64822466
2-[4-[(2-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
CID 64822057
2-amino-N-[[3-(hydroxymethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119775473
2-amino-N-(4-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64825119
N-[4-(acetamidomethyl)phenyl]-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120989794
2-amino-N-(4-methylphenyl)cyclohexane-1-carboxamide
CID 12512511
2-amino-N-[4-(dimethylamino)phenyl]cyclopentane-1-carboxamide
CID 64823318
N-[(4-acetamidophenyl)methyl]-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119277261

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide (CID 64822288) is N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide is CC(=O)Nc1ccc(CNC(=O)C2CCCC2N)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide?
The InChIKey is NBOBTKLFBUFCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10(19)18-12-7-5-11(6-8-12)9-17-15(20)13-3-2-4-14(13)16/h5-8,13-14H,2-4,9,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide?
N-[(4-acetamidophenyl)methyl]-2-aminocyclopentane-1-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.39, 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]-2-aminocyclopentane-1-carboxamide is sourced from PubChem (CID 64822288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).