N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide

C29H25NO2 — CID 148600278

IUPACN,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide
SMILESCc1ccc(CC(=O)C(=O)Nc2ccc(C)cc2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C29H25NO2/c1-20-13-15-24(25(17-20)22-9-5-3-6-10-22)19-28(31)29(32)30-27-16-14-21(2)18-26(27)23-11-7-4-8-12-23/h3-18H,19H2,1-2H3,(H,30,32)
InChIKeyNCJJAJUQWSDRMS-UHFFFAOYSA-N
MW419.52 g/mol
LogP6.39
Rot. Bonds6

About N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide

N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide (PubChem CID 148600278) has the molecular formula C29H25NO2 and a molecular weight of 419.52 g/mol. Its IUPAC name is N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide.

Molecular Properties

Compound NameN,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide
PubChem CID148600278
Molecular FormulaC29H25NO2
Molecular Weight419.52 g/mol
Exact Mass419.19
IUPAC NameN,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide
SMILESCc1ccc(CC(=O)C(=O)Nc2ccc(C)cc2-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C29H25NO2/c1-20-13-15-24(25(17-20)22-9-5-3-6-10-22)19-28(31)29(32)30-27-16-14-21(2)18-26(27)23-11-7-4-8-12-23/h3-18H,19H2,1-2H3,(H,30,32)
InChIKeyNCJJAJUQWSDRMS-UHFFFAOYSA-N
XLogP6.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methyl-2-phenylanilino)-5-oxopentanoic acid
CID 110442673
N-(4-methyl-2-phenylphenyl)furan-2-carboxamide
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[2-(3-fluorophenyl)-4-methylphenyl]carbamic acid
CID 69316354
3-methoxy-N-(4-methyl-2-phenylphenyl)benzamide
CID 110441633
2-[(4-methyl-2-phenylphenyl)methyl]-1,3-diphenylpropane-1,3-dione
CID 141392744
3-[2-(4-fluorophenyl)-4-methylphenyl]-1,1-dimethylurea
CID 135041649
3-(4-methylphenyl)sulfonyl-N-(2-phenylphenyl)propanamide
CID 26727449
3-methyl-N-[4-methyl-2-[3-(trifluoromethyl)phenyl]phenyl]butanamide
CID 67742586
N-[4-methyl-2-[3-(1H-pyrazol-5-yl)phenyl]phenyl]propanamide
CID 29084327
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N-(2,4-dimethylphenyl)-2-(3-phenylpyridin-1-ium-1-yl)acetamide
CID 8876602
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-phenylphenyl)acetamide
CID 7929961

Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide?
The IUPAC name of N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide (CID 148600278) is N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide.
What is the SMILES notation for N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide?
The canonical SMILES for N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide is Cc1ccc(CC(=O)C(=O)Nc2ccc(C)cc2-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide?
The InChIKey is NCJJAJUQWSDRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO2/c1-20-13-15-24(25(17-20)22-9-5-3-6-10-22)19-28(31)29(32)30-27-16-14-21(2)18-26(27)23-11-7-4-8-12-23/h3-18H,19H2,1-2H3,(H,30,32).
What are the key properties of N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide?
N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide has a molecular weight of 419.52 g/mol, XLogP of 6.39, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-methyl-2-phenylphenyl)-2-oxopropanamide is sourced from PubChem (CID 148600278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).