3-amino-N-benzyl-N-(2-phenylethyl)butanamide

C19H24N2O — CID 119675960

IUPAC3-amino-N-benzyl-N-(2-phenylethyl)butanamide
SMILESCC(N)CC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-16(20)14-19(22)21(15-18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-11,16H,12-15,20H2,1H3
InChIKeyFTRGLHTZBNWBID-UHFFFAOYSA-N
MW296.41 g/mol
LogP3.00
Rot. Bonds7

About 3-amino-N-benzyl-N-(2-phenylethyl)butanamide

3-amino-N-benzyl-N-(2-phenylethyl)butanamide (PubChem CID 119675960) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is 3-amino-N-benzyl-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-benzyl-N-(2-phenylethyl)butanamide
PubChem CID119675960
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name3-amino-N-benzyl-N-(2-phenylethyl)butanamide
SMILESCC(N)CC(=O)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C19H24N2O/c1-16(20)14-19(22)21(15-18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-11,16H,12-15,20H2,1H3
InChIKeyFTRGLHTZBNWBID-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
3-amino-N-(2-phenylethyl)-N-prop-2-enylbutanamide
CID 119752351
(2R)-2-amino-N-benzyl-N-(2-phenylethyl)propanamide
CID 78973061
3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide
CID 119774602
4-amino-N-benzyl-3-methoxy-N-(2-phenylethyl)butanamide;hydrochloride
CID 120586577
ethyl 2-[3-aminobutanoyl(benzyl)amino]acetate
CID 120873605
3-amino-N-benzyl-N-phenylbutanamide
CID 61260730
4-amino-N-benzyl-N-[2-(4-methoxyphenyl)ethyl]pentanamide
CID 120562136
N-benzyl-3-phenyl-N-(2-phenylethyl)propanamide
CID 42775856
(3R,4R)-N,N,N',N'-tetrabenzyl-3,4-dimethylhexanediamide
CID 100939572
N-benzyl-2-methylsulfanyl-N-(2-phenylethyl)acetamide
CID 112791256
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-benzyl-N-(2-phenylethyl)butanamide?
The IUPAC name of 3-amino-N-benzyl-N-(2-phenylethyl)butanamide (CID 119675960) is 3-amino-N-benzyl-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 3-amino-N-benzyl-N-(2-phenylethyl)butanamide?
The canonical SMILES for 3-amino-N-benzyl-N-(2-phenylethyl)butanamide is CC(N)CC(=O)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of 3-amino-N-benzyl-N-(2-phenylethyl)butanamide?
The InChIKey is FTRGLHTZBNWBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-16(20)14-19(22)21(15-18-10-6-3-7-11-18)13-12-17-8-4-2-5-9-17/h2-11,16H,12-15,20H2,1H3.
What are the key properties of 3-amino-N-benzyl-N-(2-phenylethyl)butanamide?
3-amino-N-benzyl-N-(2-phenylethyl)butanamide has a molecular weight of 296.41 g/mol, XLogP of 3.00, 7 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-(2-phenylethyl)butanamide is sourced from PubChem (CID 119675960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).