N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide

C16H24N2O3 — CID 119565773

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C16H24N2O3/c1-20-13-6-2-3-7-14(13)21-11-8-15(19)18-16(12-17)9-4-5-10-16/h2-3,6-7H,4-5,8-12,17H2,1H3,(H,18,19)
InChIKeyVFZQOOLFZORHEB-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.85
Rot. Bonds7

About N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide

N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide (PubChem CID 119565773) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
PubChem CID119565773
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide
SMILESCOc1ccccc1OCCC(=O)NC1(CN)CCCC1
InChIInChI=1S/C16H24N2O3/c1-20-13-6-2-3-7-14(13)21-11-8-15(19)18-16(12-17)9-4-5-10-16/h2-3,6-7H,4-5,8-12,17H2,1H3,(H,18,19)
InChIKeyVFZQOOLFZORHEB-UHFFFAOYSA-N
XLogP1.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119565936
N-[1-(aminomethyl)cyclopentyl]-2-(2-methoxyanilino)acetamide
CID 119565547
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
3-(2-aminophenoxy)-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62523597
N-[1-(aminomethyl)cyclopentyl]-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119567423
N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119565114
N-[1-(aminomethyl)cyclopentyl]-3-(2-bromo-4-chlorophenoxy)propanamide
CID 119565539
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyethoxy)propanamide;hydrochloride
CID 119567939
N-[1-(aminomethyl)cyclopentyl]-3-(3,4,5-trimethoxyphenyl)propanamide;hydrochloride
CID 119565765
N-[1-(hydroxymethyl)cyclobutyl]-2-(2-methoxyphenoxy)acetamide
CID 115878022
3-(2-methoxyphenoxy)propanoyl chloride
CID 82040752
N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide
CID 65432344

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide (CID 119565773) is N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide is COc1ccccc1OCCC(=O)NC1(CN)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide?
The InChIKey is VFZQOOLFZORHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-13-6-2-3-7-14(13)21-11-8-15(19)18-16(12-17)9-4-5-10-16/h2-3,6-7H,4-5,8-12,17H2,1H3,(H,18,19).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide?
N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(2-methoxyphenoxy)propanamide is sourced from PubChem (CID 119565773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).