N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide

C15H21N3O3 — CID 119604933

IUPACN-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide
SMILESNCC1CCCC1NC(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C15H21N3O3/c16-8-10-4-3-6-12(10)18-15(20)11-5-1-2-7-13(11)21-9-14(17)19/h1-2,5,7,10,12H,3-4,6,8-9,16H2,(H2,17,19)(H,18,20)
InChIKeyQGGWTWXAVYWYQK-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.41
Rot. Bonds6

About N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide

N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide (PubChem CID 119604933) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide
PubChem CID119604933
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide
SMILESNCC1CCCC1NC(=O)c1ccccc1OCC(N)=O
InChIInChI=1S/C15H21N3O3/c16-8-10-4-3-6-12(10)18-15(20)11-5-1-2-7-13(11)21-9-14(17)19/h1-2,5,7,10,12H,3-4,6,8-9,16H2,(H2,17,19)(H,18,20)
InChIKeyQGGWTWXAVYWYQK-UHFFFAOYSA-N
XLogP0.41
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-2-oxoethoxy)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120577789
N-[2-(aminomethyl)cyclopentyl]-2-anilinobenzamide
CID 119601108
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethyl)sulfanylbenzamide
CID 119600661
N-[2-(aminomethyl)cyclopentyl]-2-methylsulfonylbenzamide
CID 119601875
N-[2-(aminomethyl)cyclopentyl]-2-benzoylbenzamide;hydrochloride
CID 119600470
N-[2-(aminomethyl)cyclopentyl]-2-(2-chlorophenoxy)acetamide;hydrochloride
CID 119603021
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-2-methylbenzamide;hydrochloride
CID 119609179
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
N-(2-amino-1-cyclohexylethyl)-2-(2-amino-2-oxoethoxy)benzamide
CID 119591890
N-[2-(aminomethyl)cyclopentyl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]acetamide;hydrochloride
CID 119601561

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide (CID 119604933) is N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide is NCC1CCCC1NC(=O)c1ccccc1OCC(N)=O.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide?
The InChIKey is QGGWTWXAVYWYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c16-8-10-4-3-6-12(10)18-15(20)11-5-1-2-7-13(11)21-9-14(17)19/h1-2,5,7,10,12H,3-4,6,8-9,16H2,(H2,17,19)(H,18,20).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide?
N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide has a molecular weight of 291.35 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-(2-amino-2-oxoethoxy)benzamide is sourced from PubChem (CID 119604933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).