N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride

C19H31ClN2O3 — CID 119604451

IUPACN-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)NC2CCCC2CN)cc1OCCC.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-3-10-23-17-9-8-14(12-18(17)24-11-4-2)19(22)21-16-7-5-6-15(16)13-20;/h8-9,12,15-16H,3-7,10-11,13,20H2,1-2H3,(H,21,22);1H
InChIKeyLRCUMABAJYIWQW-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.54
Rot. Bonds9

About N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride (PubChem CID 119604451) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
PubChem CID119604451
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride
SMILESCCCOc1ccc(C(=O)NC2CCCC2CN)cc1OCCC.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-3-10-23-17-9-8-14(12-18(17)24-11-4-2)19(22)21-16-7-5-6-15(16)13-20;/h8-9,12,15-16H,3-7,10-11,13,20H2,1-2H3,(H,21,22);1H
InChIKeyLRCUMABAJYIWQW-UHFFFAOYSA-N
XLogP3.54
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-ethoxy-4-propoxybenzamide
CID 119603710
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066
N-[2-(aminomethyl)cyclopentyl]-3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 119605114
N-[2-(aminomethyl)cyclopentyl]-4-propanoylbenzamide
CID 119603540
3-methoxy-N-[2-[(3-methoxy-4-octoxybenzoyl)amino]cyclopentyl]-4-octoxybenzamide
CID 54538637
3-amino-N-(2-methylcyclohexyl)-4-propoxybenzamide
CID 82070304
N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride (CID 119604451) is N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride is CCCOc1ccc(C(=O)NC2CCCC2CN)cc1OCCC.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride?
The InChIKey is LRCUMABAJYIWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-3-10-23-17-9-8-14(12-18(17)24-11-4-2)19(22)21-16-7-5-6-15(16)13-20;/h8-9,12,15-16H,3-7,10-11,13,20H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.54, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-3,4-dipropoxybenzamide;hydrochloride is sourced from PubChem (CID 119604451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).