N-(3-methylphenyl)-3-phenylpropanamide

C16H17NO — CID 532827

IUPACN-(3-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-13-6-5-9-15(12-13)17-16(18)11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyAZCPQNSZMBNXPE-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.57
Rot. Bonds4

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

N-(3-methylphenyl)-3-phenylpropanamide (PubChem CID 532827) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-phenylpropanamide
PubChem CID532827
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-(3-methylphenyl)-3-phenylpropanamide
SMILESCc1cccc(NC(=O)CCc2ccccc2)c1
InChIInChI=1S/C16H17NO/c1-13-6-5-9-15(12-13)17-16(18)11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,17,18)
InChIKeyAZCPQNSZMBNXPE-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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Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-phenylpropanamide?
The IUPAC name of N-(3-methylphenyl)-3-phenylpropanamide (CID 532827) is N-(3-methylphenyl)-3-phenylpropanamide.
What is the SMILES notation for N-(3-methylphenyl)-3-phenylpropanamide?
The canonical SMILES for N-(3-methylphenyl)-3-phenylpropanamide is Cc1cccc(NC(=O)CCc2ccccc2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-phenylpropanamide?
The InChIKey is AZCPQNSZMBNXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-13-6-5-9-15(12-13)17-16(18)11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,17,18).
What are the key properties of N-(3-methylphenyl)-3-phenylpropanamide?
N-(3-methylphenyl)-3-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 N-(3-methylphenyl)-3-phenylpropanamide is sourced from PubChem (CID 532827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).