N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride

C17H27ClN2O2 — CID 119567108

IUPACN-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccc(C(C)CC(=O)NC2(CN)CCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(14-5-7-15(21-2)8-6-14)11-16(20)19-17(12-18)9-3-4-10-17;/h5-8,13H,3-4,9-12,18H2,1-2H3,(H,19,20);1H
InChIKeyNIAVVTUNFIOVBJ-UHFFFAOYSA-N
MW326.87 g/mol
LogP3.00
Rot. Bonds6

About N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride (PubChem CID 119567108) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride
PubChem CID119567108
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride
SMILESCOc1ccc(C(C)CC(=O)NC2(CN)CCCC2)cc1.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-13(14-5-7-15(21-2)8-6-14)11-16(20)19-17(12-18)9-3-4-10-17;/h5-8,13H,3-4,9-12,18H2,1-2H3,(H,19,20);1H
InChIKeyNIAVVTUNFIOVBJ-UHFFFAOYSA-N
XLogP3.00
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenyl)pentanamide
CID 110008578
N-[1-(aminomethyl)cyclopentyl]-4-(2-methoxyphenyl)-3-methylbutanamide;hydrochloride
CID 119565114
3-(4-methoxyphenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]butanamide
CID 139009627
N-(3-aminopropyl)-3-(4-methoxyphenyl)butanamide
CID 119407461
N-(3-amino-2-methylpropyl)-3-(4-methoxyphenyl)butanamide
CID 119995673
N-[1-(aminomethyl)cyclopentyl]-2-(4-ethoxyphenyl)acetamide;hydrochloride
CID 119564832
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-methoxybenzamide
CID 103806873
N-(4-aminocyclohexyl)-3-(4-methoxyphenyl)butanamide;hydrochloride
CID 119477343
N-[1-(aminomethyl)cyclopentyl]-2-(4-iodophenoxy)acetamide;hydrochloride
CID 119567396
N-[1-(hydroxymethyl)cyclopentyl]-3-(4-methoxyphenoxy)propanamide
CID 62519503
2-[1-(3-phenylbutanoylamino)cyclobutyl]acetic acid
CID 119217384

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride (CID 119567108) is N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride is COc1ccc(C(C)CC(=O)NC2(CN)CCCC2)cc1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride?
The InChIKey is NIAVVTUNFIOVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-13(14-5-7-15(21-2)8-6-14)11-16(20)19-17(12-18)9-3-4-10-17;/h5-8,13H,3-4,9-12,18H2,1-2H3,(H,19,20);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-(4-methoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 119567108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).