(2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide

C27H32N2O — CID 101028936

IUPAC(2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@H](c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C27H32N2O/c1-20(2)29(21(3)4)27(30)25(22-14-8-5-9-15-22)26(23-16-10-6-11-17-23)28-24-18-12-7-13-19-24/h5-21,25-26,28H,1-4H3/t25-,26-/m1/s1
InChIKeyCQRLFNDIOSWAKW-CLJLJLNGSA-N
MW400.57 g/mol
LogP6.27
Rot. Bonds8

About (2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide

(2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide (PubChem CID 101028936) has the molecular formula C27H32N2O and a molecular weight of 400.57 g/mol. Its IUPAC name is (2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name(2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide
PubChem CID101028936
Molecular FormulaC27H32N2O
Molecular Weight400.57 g/mol
Exact Mass400.25
IUPAC Name(2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(C(=O)[C@H](c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1)C(C)C
InChIInChI=1S/C27H32N2O/c1-20(2)29(21(3)4)27(30)25(22-14-8-5-9-15-22)26(23-16-10-6-11-17-23)28-24-18-12-7-13-19-24/h5-21,25-26,28H,1-4H3/t25-,26-/m1/s1
InChIKeyCQRLFNDIOSWAKW-CLJLJLNGSA-N
XLogP6.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[anilino(phenyl)methyl]-3-oxobutanoic acid
CID 57120250
(1S,2S)-1-anilino-1-phenylpropan-2-ol
CID 166445226
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517
(2R,3S)-N,N-dimethyl-3-(naphthalen-2-ylamino)-2,3-diphenylpropanamide
CID 101028938
methyl (2R,3S)-3-anilino-2-methyl-3-phenylpropanoate
CID 11780569
(2R,3S)-3-anilino-2-methyl-1,3-diphenylpropan-1-one
CID 11056163
methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate
CID 12653729
1-anilino-2-methyl-1-phenylpentan-3-one
CID 10539778
(2R)-3-methyl-2-phenylbutanoic acid
CID 7290444
2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide
CID 22398871
methyl (2S,3S)-2-[(S)-anilino(phenyl)methyl]-3-hydroxybutanoate
CID 132509763
N-(2-nitro-1-phenylpropyl)aniline
CID 6710790

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide?
The IUPAC name of (2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide (CID 101028936) is (2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for (2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for (2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide is CC(C)N(C(=O)[C@H](c1ccccc1)[C@H](Nc1ccccc1)c1ccccc1)C(C)C.
What is the InChIKey of (2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide?
The InChIKey is CQRLFNDIOSWAKW-CLJLJLNGSA-N. The full InChI is InChI=1S/C27H32N2O/c1-20(2)29(21(3)4)27(30)25(22-14-8-5-9-15-22)26(23-16-10-6-11-17-23)28-24-18-12-7-13-19-24/h5-21,25-26,28H,1-4H3/t25-,26-/m1/s1.
What are the key properties of (2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide?
(2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide has a molecular weight of 400.57 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-anilino-2,3-diphenyl-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 101028936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).