2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride

C18H23ClN2O2 — CID 75429738

IUPAC2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride
SMILESCCC(N)C(=O)N(Cc1ccccc1)c1ccc(OC)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-17(19)18(21)20(13-14-7-5-4-6-8-14)15-9-11-16(22-2)12-10-15;/h4-12,17H,3,13,19H2,1-2H3;1H
InChIKeyJMKDCMUTYNCDCC-UHFFFAOYSA-N
MW334.85 g/mol
LogP3.39
Rot. Bonds6

About 2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride

2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride (PubChem CID 75429738) has the molecular formula C18H23ClN2O2 and a molecular weight of 334.85 g/mol. Its IUPAC name is 2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride
PubChem CID75429738
Molecular FormulaC18H23ClN2O2
Molecular Weight334.85 g/mol
Exact Mass334.14
IUPAC Name2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride
SMILESCCC(N)C(=O)N(Cc1ccccc1)c1ccc(OC)cc1.Cl
InChIInChI=1S/C18H22N2O2.ClH/c1-3-17(19)18(21)20(13-14-7-5-4-6-8-14)15-9-11-16(22-2)12-10-15;/h4-12,17H,3,13,19H2,1-2H3;1H
InChIKeyJMKDCMUTYNCDCC-UHFFFAOYSA-N
XLogP3.39
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.85
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-benzyl-N-(4-methoxyphenyl)acetamide;hydrochloride
CID 119032182
[(2S)-1-(N-benzyl-4-methoxyanilino)-1-oxo-3-phenylpropan-2-yl]-tert-butylcarbamic acid
CID 118037797
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-benzyl-N-(4-methoxyphenyl)hexanamide
CID 60594646
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
N-benzyl-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 3724237
methyl 2-[2-aminobutanoyl(benzyl)amino]acetate
CID 54872543
(2R)-N-benzyl-2-bromo-N-phenylbutanamide
CID 93477428
2-amino-N-[(3-methoxyphenyl)methyl]-N-methylbutanamide
CID 54869166
3-(N-[(2S)-2-aminobutanoyl]anilino)propanoic acid
CID 79023442
N-benzyl-N-[4-[2-(4-methoxyanilino)-2-oxoethyl]phenyl]propanamide
CID 46045773
(2S)-2-amino-N-(3-amino-3-oxopropyl)-N-benzylbutanamide;hydrochloride
CID 119275227

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride?
The IUPAC name of 2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride (CID 75429738) is 2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride?
The canonical SMILES for 2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride is CCC(N)C(=O)N(Cc1ccccc1)c1ccc(OC)cc1.Cl.
What is the InChIKey of 2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride?
The InChIKey is JMKDCMUTYNCDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2.ClH/c1-3-17(19)18(21)20(13-14-7-5-4-6-8-14)15-9-11-16(22-2)12-10-15;/h4-12,17H,3,13,19H2,1-2H3;1H.
What are the key properties of 2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride?
2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride has a molecular weight of 334.85 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-benzyl-N-(4-methoxyphenyl)butanamide;hydrochloride is sourced from PubChem (CID 75429738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).