N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride

C16H25ClN2O2 — CID 119497787

IUPACN-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(OC2CCCC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(17)9-10-18-16(19)13-5-4-8-15(11-13)20-14-6-2-3-7-14;/h4-5,8,11-12,14H,2-3,6-7,9-10,17H2,1H3,(H,18,19);1H
InChIKeyDLWJNMATSGKHRK-UHFFFAOYSA-N
MW312.84 g/mol
LogP2.90
Rot. Bonds6

About N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride

N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride (PubChem CID 119497787) has the molecular formula C16H25ClN2O2 and a molecular weight of 312.84 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
PubChem CID119497787
Molecular FormulaC16H25ClN2O2
Molecular Weight312.84 g/mol
Exact Mass312.16
IUPAC NameN-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(OC2CCCC2)c1.Cl
InChIInChI=1S/C16H24N2O2.ClH/c1-12(17)9-10-18-16(19)13-5-4-8-15(11-13)20-14-6-2-3-7-14;/h4-5,8,11-12,14H,2-3,6-7,9-10,17H2,1H3,(H,18,19);1H
InChIKeyDLWJNMATSGKHRK-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2-methylpropyl)-3-cyclopentyloxybenzamide
CID 119995738
N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119494749
N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
CID 119497996
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
3-[1-(cyclohexylmethyl)piperidin-4-yl]oxy-N-(2-methoxyethyl)benzamide
CID 42216218
N-(3-aminobutyl)-3-(cyclopropylmethylsulfamoyl)benzamide;hydrochloride
CID 119498741
3-cyclopentyloxybenzamide
CID 71932153
3-cyclopentyloxy-N-(1,3-dihydroxy-2-methylpropan-2-yl)benzamide
CID 122141053
1-(3-cyclopropyloxyphenyl)-2-(methylamino)propan-1-one
CID 114523725
N-[2-(aminomethyl)cyclohexyl]-3-cyclopentyloxybenzamide;hydrochloride
CID 119611218
2-amino-1-(3-cyclopropyloxyphenyl)-3-methoxypropan-1-one
CID 114523838

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride (CID 119497787) is N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride is CC(N)CCNC(=O)c1cccc(OC2CCCC2)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride?
The InChIKey is DLWJNMATSGKHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2.ClH/c1-12(17)9-10-18-16(19)13-5-4-8-15(11-13)20-14-6-2-3-7-14;/h4-5,8,11-12,14H,2-3,6-7,9-10,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride?
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride has a molecular weight of 312.84 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride is sourced from PubChem (CID 119497787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).