3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide

C16H15NO2 — CID 142073021

IUPAC3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide
SMILESCc1ccc(-c2ccc(CCC(=O)N=O)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-12-2-7-14(8-3-12)15-9-4-13(5-10-15)6-11-16(18)17-19/h2-5,7-10H,6,11H2,1H3
InChIKeyGVJJQRZTGANRII-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.89
Rot. Bonds4

About 3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide

3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide (PubChem CID 142073021) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide.

Molecular Properties

Compound Name3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide
PubChem CID142073021
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide
SMILESCc1ccc(-c2ccc(CCC(=O)N=O)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-12-2-7-14(8-3-12)15-9-4-13(5-10-15)6-11-16(18)17-19/h2-5,7-10H,6,11H2,1H3
InChIKeyGVJJQRZTGANRII-UHFFFAOYSA-N
XLogP3.89
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
ethane;3-(4-methylphenyl)propanamide
CID 142510251
1-hydroxy-4-(4-methylphenyl)butan-2-one
CID 22628483
methanesulfonic acid;1-methyl-4-[4-[2-(4-methylphenyl)ethyl]phenyl]benzene
CID 91314027
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
2-methyl-5-(4-methylphenyl)pent-1-en-3-one
CID 105113096
ethane;1-(4-methylphenyl)hexan-3-one
CID 143103433
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
S-ethyl 3-(4-methylphenyl)propanethioate
CID 161024746
5-methyl-1-(4-methylphenyl)hex-4-en-3-one
CID 58766543
4-[4-[4-(4-methylphenyl)butyl]phenyl]benzoic acid
CID 67375612

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide?
The IUPAC name of 3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide (CID 142073021) is 3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide.
What is the SMILES notation for 3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide?
The canonical SMILES for 3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide is Cc1ccc(-c2ccc(CCC(=O)N=O)cc2)cc1.
What is the InChIKey of 3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide?
The InChIKey is GVJJQRZTGANRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-2-7-14(8-3-12)15-9-4-13(5-10-15)6-11-16(18)17-19/h2-5,7-10H,6,11H2,1H3.
What are the key properties of 3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide?
3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide has a molecular weight of 253.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylphenyl)phenyl]-N-oxopropanamide is sourced from PubChem (CID 142073021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).