(2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide

C26H25NO3 — CID 124640134

IUPAC(2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide
SMILESCC(C)C(=O)[C@H](C(=O)N(c1ccccc1)c1ccccc1)[C@H](C=O)c1ccccc1
InChIInChI=1S/C26H25NO3/c1-19(2)25(29)24(23(18-28)20-12-6-3-7-13-20)26(30)27(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19,23-24H,1-2H3/t23-,24-/m1/s1
InChIKeyRAYQVVAVOQVBMI-DNQXCXABSA-N
MW399.49 g/mol
LogP5.18
Rot. Bonds8

About (2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide

(2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide (PubChem CID 124640134) has the molecular formula C26H25NO3 and a molecular weight of 399.49 g/mol. Its IUPAC name is (2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide
PubChem CID124640134
Molecular FormulaC26H25NO3
Molecular Weight399.49 g/mol
Exact Mass399.18
IUPAC Name(2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide
SMILESCC(C)C(=O)[C@H](C(=O)N(c1ccccc1)c1ccccc1)[C@H](C=O)c1ccccc1
InChIInChI=1S/C26H25NO3/c1-19(2)25(29)24(23(18-28)20-12-6-3-7-13-20)26(30)27(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19,23-24H,1-2H3/t23-,24-/m1/s1
InChIKeyRAYQVVAVOQVBMI-DNQXCXABSA-N
XLogP5.18
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dimethyl 2-(2-oxo-1-phenylethyl)propanedioate
CID 10933918
(2R,3S)-3-hydroxy-2-methyl-N,N,3-triphenylpropanamide
CID 102439539
N-(4-chlorophenyl)-2-methyl-N-phenylpropanamide
CID 138899896
(E,2S,3R)-2,3-diphenylhex-4-enal
CID 101207780
(2R)-2-methyl-N,N-diphenylpent-4-enamide
CID 24809395
N-benzyl-N-methyl-4-oxo-2,3-diphenylbutanamide
CID 163377697
1-chloro-3-methyl-1-phenylbutan-2-one
CID 79006597
diethyl 2-[1-oxo-1-(N-phenylanilino)propan-2-yl]propanedioate
CID 135072806
(2S)-2-methyl-3-phenylpent-4-enoic acid
CID 70506498
(2R)-N-hydroxy-N,2-diphenylpropanamide;nitrosobenzene;2-phenylpropanal
CID 157195375
N-hydroxy-N,2,2-triphenylacetamide
CID 23854752
N,N,2-trimethyl-3-phenylpent-4-enamide
CID 132648038

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide?
The IUPAC name of (2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide (CID 124640134) is (2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide.
What is the SMILES notation for (2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide?
The canonical SMILES for (2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide is CC(C)C(=O)[C@H](C(=O)N(c1ccccc1)c1ccccc1)[C@H](C=O)c1ccccc1.
What is the InChIKey of (2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide?
The InChIKey is RAYQVVAVOQVBMI-DNQXCXABSA-N. The full InChI is InChI=1S/C26H25NO3/c1-19(2)25(29)24(23(18-28)20-12-6-3-7-13-20)26(30)27(21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-19,23-24H,1-2H3/t23-,24-/m1/s1.
What are the key properties of (2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide?
(2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide has a molecular weight of 399.49 g/mol, XLogP of 5.18, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-3-oxo-2-[(1S)-2-oxo-1-phenylethyl]-N,N-diphenylpentanamide is sourced from PubChem (CID 124640134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).