3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride

C20H27ClN2O — CID 119502706

IUPAC3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride
SMILESCNCCNC(=O)CC(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-21-12-13-22-20(23)16-19(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18;/h2-11,19,21H,12-16H2,1H3,(H,22,23);1H
InChIKeyMYCAYGZUXAWKHP-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.24
Rot. Bonds9

About 3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride

3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride (PubChem CID 119502706) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride.

Molecular Properties

Compound Name3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride
PubChem CID119502706
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride
SMILESCNCCNC(=O)CC(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-21-12-13-22-20(23)16-19(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18;/h2-11,19,21H,12-16H2,1H3,(H,22,23);1H
InChIKeyMYCAYGZUXAWKHP-UHFFFAOYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride
CID 119497857
(2S)-2-(methylamino)-N-[2-(methylamino)ethyl]-3-phenylpropanamide
CID 100959272
N-[2-(methylamino)ethyl]-2-phenylmethoxyacetamide
CID 119501823
N-(1-amino-2-methylpropan-2-yl)-3-benzyl-4-phenylbutanamide
CID 119523708
4-methyl-N-[3-(methylamino)propyl]-3-phenylpentanamide;hydrochloride
CID 119429836
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
3-methyl-N-[2-[2-(methylamino)ethylamino]-2-oxo-1-phenylethyl]butanamide;hydrochloride
CID 119500815
(3S)-5-methyl-3-[2-oxo-2-(2-phenylethylamino)ethyl]hexanoic acid
CID 126509470
(3S)-3,4,4-trimethyl-N-(2-phenylethyl)pentanamide
CID 97019359
(2S)-2-amino-N-[2-[6-(methylamino)hexylamino]-2-oxoethyl]-3-phenylpropanamide
CID 118485925
4-(methylamino)-N-(1-phenylbutan-2-yl)butanamide;hydrochloride
CID 119766313
(2R)-2-benzyl-3-(methylamino)propanoic acid;hydrochloride
CID 170899624

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride?
The IUPAC name of 3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride (CID 119502706) is 3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride.
What is the SMILES notation for 3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride?
The canonical SMILES for 3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride is CNCCNC(=O)CC(Cc1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of 3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride?
The InChIKey is MYCAYGZUXAWKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-21-12-13-22-20(23)16-19(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18;/h2-11,19,21H,12-16H2,1H3,(H,22,23);1H.
What are the key properties of 3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride?
3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.24, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119502706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).