(2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide

C24H26N2O — CID 172564197

IUPAC(2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide
SMILESC[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](Nc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C24H26N2O/c1-18(19-14-16-21(17-15-19)20-10-6-4-7-11-20)23(24(27)26(2)3)25-22-12-8-5-9-13-22/h4-18,23,25H,1-3H3/t18-,23-/m0/s1
InChIKeyOLKRDNWTKYUAPJ-MBSDFSHPSA-N
MW358.49 g/mol
LogP5.03
Rot. Bonds6

About (2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide

(2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide (PubChem CID 172564197) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is (2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide.

Molecular Properties

Compound Name(2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide
PubChem CID172564197
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name(2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide
SMILESC[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](Nc1ccccc1)C(=O)N(C)C
InChIInChI=1S/C24H26N2O/c1-18(19-14-16-21(17-15-19)20-10-6-4-7-11-20)23(24(27)26(2)3)25-22-12-8-5-9-13-22/h4-18,23,25H,1-3H3/t18-,23-/m0/s1
InChIKeyOLKRDNWTKYUAPJ-MBSDFSHPSA-N
XLogP5.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.49
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-2-(methylamino)-3-phenylbutanamide
CID 16748884
2-anilino-N,N-dimethylbutanamide
CID 137320686
2-(4-fluoroanilino)-3-phenylbutanoic acid
CID 61305744
(2S)-2-anilino-3-methylbutanoic acid;hydrochloride
CID 70534488
2-(4-phenylanilino)propanamide
CID 60671359
N,N-dimethyl-2,2-diphenylacetamide
CID 19693860
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
3-(4-phenylphenyl)butan-2-one
CID 66468835
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
(2S,3R,4S)-2,3,4-trihydroxy-N,N-dimethyl-4-phenylbutanamide
CID 134855963
3-[2-anilinobutanoyl(methyl)amino]-2-methylpropanoic acid
CID 166239589
2-[1-(4-phenylphenyl)ethylamino]propanamide
CID 43398020

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide?
The IUPAC name of (2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide (CID 172564197) is (2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide.
What is the SMILES notation for (2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide?
The canonical SMILES for (2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide is C[C@@H](c1ccc(-c2ccccc2)cc1)[C@H](Nc1ccccc1)C(=O)N(C)C.
What is the InChIKey of (2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide?
The InChIKey is OLKRDNWTKYUAPJ-MBSDFSHPSA-N. The full InChI is InChI=1S/C24H26N2O/c1-18(19-14-16-21(17-15-19)20-10-6-4-7-11-20)23(24(27)26(2)3)25-22-12-8-5-9-13-22/h4-18,23,25H,1-3H3/t18-,23-/m0/s1.
What are the key properties of (2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide?
(2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide has a molecular weight of 358.49 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-anilino-N,N-dimethyl-3-(4-phenylphenyl)butanamide is sourced from PubChem (CID 172564197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).