N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride

C21H29ClN2O — CID 119497857

IUPACN-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride
SMILESCC(N)CCNC(=O)CC(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-17(22)12-13-23-21(24)16-20(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19;/h2-11,17,20H,12-16,22H2,1H3,(H,23,24);1H
InChIKeyWCLLOKPXUIQOOZ-UHFFFAOYSA-N
MW360.93 g/mol
LogP3.75
Rot. Bonds9

About N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride

N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride (PubChem CID 119497857) has the molecular formula C21H29ClN2O and a molecular weight of 360.93 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride
PubChem CID119497857
Molecular FormulaC21H29ClN2O
Molecular Weight360.93 g/mol
Exact Mass360.20
IUPAC NameN-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride
SMILESCC(N)CCNC(=O)CC(Cc1ccccc1)Cc1ccccc1.Cl
InChIInChI=1S/C21H28N2O.ClH/c1-17(22)12-13-23-21(24)16-20(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19;/h2-11,17,20H,12-16,22H2,1H3,(H,23,24);1H
InChIKeyWCLLOKPXUIQOOZ-UHFFFAOYSA-N
XLogP3.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzyl-N-[2-(methylamino)ethyl]-4-phenylbutanamide;hydrochloride
CID 119502706
N-(3-aminobutyl)-3-phenylbutanamide
CID 119496736
N-(3-aminobutyl)-3-ethylpentanamide
CID 119496661
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
N-(3-aminobutyl)-3-(2-fluorophenyl)butanamide
CID 119499708
N-(3-aminobutyl)-3-(4-ethylphenyl)butanamide;hydrochloride
CID 119495877
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
N-(3-aminobutyl)-3-(2-methoxyphenyl)butanamide;hydrochloride
CID 119495811
(2S)-2-amino-N-[(3R)-3-hydroxybutyl]-3-phenylpropanamide
CID 97183881
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
N-(3-aminobutyl)-2-pyridin-3-ylacetamide
CID 63253983
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride (CID 119497857) is N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride is CC(N)CCNC(=O)CC(Cc1ccccc1)Cc1ccccc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride?
The InChIKey is WCLLOKPXUIQOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.ClH/c1-17(22)12-13-23-21(24)16-20(14-18-8-4-2-5-9-18)15-19-10-6-3-7-11-19;/h2-11,17,20H,12-16,22H2,1H3,(H,23,24);1H.
What are the key properties of N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride?
N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride has a molecular weight of 360.93 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-benzyl-4-phenylbutanamide;hydrochloride is sourced from PubChem (CID 119497857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).