3-(4-methylphenyl)-N-phenylpropanamide

C16H17NO — CID 2995602

IUPAC3-(4-methylphenyl)-N-phenylpropanamide
SMILESCc1ccc(CCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-13-7-9-14(10-8-13)11-12-16(18)17-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyAZYQHXUQPXOQQO-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.57
Rot. Bonds4

About 3-(4-methylphenyl)-N-phenylpropanamide

3-(4-methylphenyl)-N-phenylpropanamide (PubChem CID 2995602) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-phenylpropanamide
PubChem CID2995602
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name3-(4-methylphenyl)-N-phenylpropanamide
SMILESCc1ccc(CCC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-13-7-9-14(10-8-13)11-12-16(18)17-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18)
InChIKeyAZYQHXUQPXOQQO-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
N,3-bis(4-methylphenyl)propanamide
CID 19220434
N-[4-(methylaminomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 106910048
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
N-[3-[[2-(4-methylanilino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54814254
3-phenyl-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 17233492
N-[3-(chloromethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114293248
N-[3-(bromomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114307276
N-[4-[(2-anilinoacetyl)amino]phenyl]-3-phenylpropanamide
CID 54810342
N-[4-[[2-(methylamino)acetyl]amino]phenyl]-3-phenylpropanamide
CID 54820849
N,N'-bis[4-(3-phenylpropanoylamino)phenyl]pentanediamide
CID 17233797
4-methyl-N-[[4-(3-phenylpropanoylamino)phenyl]carbamothioyl]benzamide
CID 17233692

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-phenylpropanamide?
The IUPAC name of 3-(4-methylphenyl)-N-phenylpropanamide (CID 2995602) is 3-(4-methylphenyl)-N-phenylpropanamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-phenylpropanamide?
The canonical SMILES for 3-(4-methylphenyl)-N-phenylpropanamide is Cc1ccc(CCC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-phenylpropanamide?
The InChIKey is AZYQHXUQPXOQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-13-7-9-14(10-8-13)11-12-16(18)17-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3,(H,17,18).
What are the key properties of 3-(4-methylphenyl)-N-phenylpropanamide?
3-(4-methylphenyl)-N-phenylpropanamide has a molecular weight of 239.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-phenylpropanamide is sourced from PubChem (CID 2995602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).