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

C18H23ClN2O2 — CID 119497996

IUPACN-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-14(19)10-11-20-18(21)16-8-5-9-17(12-16)22-13-15-6-3-2-4-7-15;/h2-9,12,14H,10-11,13,19H2,1H3,(H,20,21);1H
InChIKeyLCJVANOXVWNXOD-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.15
Rot. Bonds7

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

N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride (PubChem CID 119497996) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
PubChem CID119497996
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC NameN-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cccc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-14(19)10-11-20-18(21)16-8-5-9-17(12-16)22-13-15-6-3-2-4-7-15;/h2-9,12,14H,10-11,13,19H2,1H3,(H,20,21);1H
InChIKeyLCJVANOXVWNXOD-UHFFFAOYSA-N
XLogP3.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-hydroxybutyl)-3-phenylmethoxybenzamide
CID 111433563
N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119494749
N-pentyl-3-phenylmethoxybenzamide
CID 112759707
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597
3-N-(3-aminobutyl)benzene-1,3-dicarboxamide;hydrochloride
CID 119498174
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
N-(3-aminobutyl)-3-cyclopentyloxybenzamide;hydrochloride
CID 119497787
3-[(4-propan-2-ylphenyl)methoxy]-N-propylbenzamide
CID 86031288
N-[(3-methylphenyl)methyl]-3-phenylmethoxybenzamide
CID 50875108
dimethyl-[(1S)-1-phenyl-2-[(3-phenylmethoxybenzoyl)amino]ethyl]azanium
CID 2539131
N-(1-aminopropan-2-yl)-N-methyl-3-phenylmethoxybenzamide;hydrochloride
CID 119583865

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride (CID 119497996) is N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride is CC(N)CCNC(=O)c1cccc(OCc2ccccc2)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride?
The InChIKey is LCJVANOXVWNXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-14(19)10-11-20-18(21)16-8-5-9-17(12-16)22-13-15-6-3-2-4-7-15;/h2-9,12,14H,10-11,13,19H2,1H3,(H,20,21);1H.
What are the key properties of N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride?
N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.15, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-phenylmethoxybenzamide;hydrochloride is sourced from PubChem (CID 119497996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).