3-amino-N-benzyl-N-phenylbutanamide

C17H20N2O — CID 61260730

IUPAC3-amino-N-benzyl-N-phenylbutanamide
SMILESCC(N)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-14(18)12-17(20)19(16-10-6-3-7-11-16)13-15-8-4-2-5-9-15/h2-11,14H,12-13,18H2,1H3
InChIKeyAIOZRUWKRCEUQE-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.96
Rot. Bonds5

About 3-amino-N-benzyl-N-phenylbutanamide

3-amino-N-benzyl-N-phenylbutanamide (PubChem CID 61260730) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-phenylbutanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-phenylbutanamide
PubChem CID61260730
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-amino-N-benzyl-N-phenylbutanamide
SMILESCC(N)CC(=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H20N2O/c1-14(18)12-17(20)19(16-10-6-3-7-11-16)13-15-8-4-2-5-9-15/h2-11,14H,12-13,18H2,1H3
InChIKeyAIOZRUWKRCEUQE-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(N-benzylanilino)-3-methyl-5-oxopentanoic acid
CID 11709377
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide
CID 119774602
N'-benzyl-N'-phenyl-N-(1-phenylethyl)propanediamide
CID 108945995
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
[2-(N-benzylanilino)-2-oxoethyl] 3-benzamidobutanoate
CID 55481805
2-(2-aminophenyl)-N-benzyl-N-phenylacetamide
CID 28712694
N'-benzyl-N,N-diethyl-N'-phenylpropanediamide
CID 108951133
2-amino-N-[(4-ethylphenyl)methyl]-N-phenylacetamide
CID 39367115
2-[[2-(N-benzylanilino)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 134045987

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-phenylbutanamide?
The IUPAC name of 3-amino-N-benzyl-N-phenylbutanamide (CID 61260730) is 3-amino-N-benzyl-N-phenylbutanamide.
What is the SMILES notation for 3-amino-N-benzyl-N-phenylbutanamide?
The canonical SMILES for 3-amino-N-benzyl-N-phenylbutanamide is CC(N)CC(=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 3-amino-N-benzyl-N-phenylbutanamide?
The InChIKey is AIOZRUWKRCEUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-14(18)12-17(20)19(16-10-6-3-7-11-16)13-15-8-4-2-5-9-15/h2-11,14H,12-13,18H2,1H3.
What are the key properties of 3-amino-N-benzyl-N-phenylbutanamide?
3-amino-N-benzyl-N-phenylbutanamide has a molecular weight of 268.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-benzyl-N-phenylbutanamide is sourced from PubChem (CID 61260730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).