(3S)-N-phenyl-3-(2-phenylethylamino)butanamide

C18H22N2O — CID 97019379

IUPAC(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
SMILESC[C@@H](CC(=O)Nc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15(19-13-12-16-8-4-2-5-9-16)14-18(21)20-17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyYANMWHXVKWKGTR-HNNXBMFYSA-N
MW282.39 g/mol
LogP3.24
Rot. Bonds7

About (3S)-N-phenyl-3-(2-phenylethylamino)butanamide

(3S)-N-phenyl-3-(2-phenylethylamino)butanamide (PubChem CID 97019379) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is (3S)-N-phenyl-3-(2-phenylethylamino)butanamide.

Molecular Properties

Compound Name(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
PubChem CID97019379
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name(3S)-N-phenyl-3-(2-phenylethylamino)butanamide
SMILESC[C@@H](CC(=O)Nc1ccccc1)NCCc1ccccc1
InChIInChI=1S/C18H22N2O/c1-15(19-13-12-16-8-4-2-5-9-16)14-18(21)20-17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3,(H,20,21)/t15-/m0/s1
InChIKeyYANMWHXVKWKGTR-HNNXBMFYSA-N
XLogP3.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-phenyl-2-(2-phenylethylamino)propanamide
CID 43083341
(3R)-3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylbutanamide
CID 97018627
3-(2,2-difluoroethylamino)-N-phenylbutanamide
CID 114244264
3-(2-methylbutylamino)-N-phenylbutanamide
CID 114244260
(2R)-2-(2-phenylethylamino)propanoic acid
CID 83194551
(3S)-3-[2-(4-methoxyphenoxy)ethylamino]-N-phenylbutanamide
CID 97019377
3-(2-phenylethylamino)butanethioamide
CID 112508005
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
3-[(2-hydroxy-3-methoxypropyl)amino]-N-phenylbutanamide
CID 111755628
(2R)-4-(3,4-dimethylanilino)-4-oxo-2-(2-phenylethylamino)butanoic acid
CID 7166284

Frequently Asked Questions

What is the IUPAC name of (3S)-N-phenyl-3-(2-phenylethylamino)butanamide?
The IUPAC name of (3S)-N-phenyl-3-(2-phenylethylamino)butanamide (CID 97019379) is (3S)-N-phenyl-3-(2-phenylethylamino)butanamide.
What is the SMILES notation for (3S)-N-phenyl-3-(2-phenylethylamino)butanamide?
The canonical SMILES for (3S)-N-phenyl-3-(2-phenylethylamino)butanamide is C[C@@H](CC(=O)Nc1ccccc1)NCCc1ccccc1.
What is the InChIKey of (3S)-N-phenyl-3-(2-phenylethylamino)butanamide?
The InChIKey is YANMWHXVKWKGTR-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-15(19-13-12-16-8-4-2-5-9-16)14-18(21)20-17-10-6-3-7-11-17/h2-11,15,19H,12-14H2,1H3,(H,20,21)/t15-/m0/s1.
What are the key properties of (3S)-N-phenyl-3-(2-phenylethylamino)butanamide?
(3S)-N-phenyl-3-(2-phenylethylamino)butanamide has a molecular weight of 282.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-phenyl-3-(2-phenylethylamino)butanamide is sourced from PubChem (CID 97019379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).