(2R)-2-methyl-4-oxo-N,N-diphenylundecanamide

C24H31NO2 — CID 101487934

IUPAC(2R)-2-methyl-4-oxo-N,N-diphenylundecanamide
SMILESCCCCCCCC(=O)C[C@@H](C)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-3-4-5-6-13-18-23(26)19-20(2)24(27)25(21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,20H,3-6,13,18-19H2,1-2H3/t20-/m1/s1
InChIKeyXIXPGIQMHDBFSY-HXUWFJFHSA-N
MW365.52 g/mol
LogP6.31
Rot. Bonds11

About (2R)-2-methyl-4-oxo-N,N-diphenylundecanamide

(2R)-2-methyl-4-oxo-N,N-diphenylundecanamide (PubChem CID 101487934) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is (2R)-2-methyl-4-oxo-N,N-diphenylundecanamide.

Molecular Properties

Compound Name(2R)-2-methyl-4-oxo-N,N-diphenylundecanamide
PubChem CID101487934
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name(2R)-2-methyl-4-oxo-N,N-diphenylundecanamide
SMILESCCCCCCCC(=O)C[C@@H](C)C(=O)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H31NO2/c1-3-4-5-6-13-18-23(26)19-20(2)24(27)25(21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,20H,3-6,13,18-19H2,1-2H3/t20-/m1/s1
InChIKeyXIXPGIQMHDBFSY-HXUWFJFHSA-N
XLogP6.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1'-biphenyl;heptadecan-9-one
CID 19613965
(2R)-2-methyl-4-oxopentadecanoic acid
CID 163018210
15-methyltriacontane-14,17-dione
CID 57233805
(2R)-2-methyl-N,N-diphenylpent-4-enamide
CID 24809395
2-oxooctyl(triphenyl)phosphanium iodide
CID 158193505
N-methyl-N-phenylnonanamide
CID 54136731
2-methylhexadecan-4-one
CID 63411798
1-phenylheptadecan-2-one
CID 12920609
N-ethyl-N-phenyloctadecanamide
CID 151424183
2-benzyl-4-oxodecanal
CID 166527306
1-phenylheptadecan-1-one
CID 577626
1-phenylnonane-1,4-dione
CID 570990

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-oxo-N,N-diphenylundecanamide?
The IUPAC name of (2R)-2-methyl-4-oxo-N,N-diphenylundecanamide (CID 101487934) is (2R)-2-methyl-4-oxo-N,N-diphenylundecanamide.
What is the SMILES notation for (2R)-2-methyl-4-oxo-N,N-diphenylundecanamide?
The canonical SMILES for (2R)-2-methyl-4-oxo-N,N-diphenylundecanamide is CCCCCCCC(=O)C[C@@H](C)C(=O)N(c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-methyl-4-oxo-N,N-diphenylundecanamide?
The InChIKey is XIXPGIQMHDBFSY-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H31NO2/c1-3-4-5-6-13-18-23(26)19-20(2)24(27)25(21-14-9-7-10-15-21)22-16-11-8-12-17-22/h7-12,14-17,20H,3-6,13,18-19H2,1-2H3/t20-/m1/s1.
What are the key properties of (2R)-2-methyl-4-oxo-N,N-diphenylundecanamide?
(2R)-2-methyl-4-oxo-N,N-diphenylundecanamide has a molecular weight of 365.52 g/mol, XLogP of 6.31, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-4-oxo-N,N-diphenylundecanamide is sourced from PubChem (CID 101487934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).