4-methyl-N-[(1S)-1-phenylethyl]benzamide

C16H17NO — CID 730323

IUPAC4-methyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-12-8-10-15(11-9-12)16(18)17-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyQYZVNRJWKFCVMG-ZDUSSCGKSA-N
MW239.32 g/mol
LogP3.49
Rot. Bonds3

About 4-methyl-N-[(1S)-1-phenylethyl]benzamide

4-methyl-N-[(1S)-1-phenylethyl]benzamide (PubChem CID 730323) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-1-phenylethyl]benzamide
PubChem CID730323
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name4-methyl-N-[(1S)-1-phenylethyl]benzamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1
InChIInChI=1S/C16H17NO/c1-12-8-10-15(11-9-12)16(18)17-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,17,18)/t13-/m0/s1
InChIKeyQYZVNRJWKFCVMG-ZDUSSCGKSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
2-(4-methylphenyl)-2-oxo-N-(1-phenylethyl)acetamide
CID 47121155
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050629
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
4-acetamido-N-(1-phenylethyl)benzamide
CID 2841785
4-hydrazinyl-N-(1-phenylethyl)benzamide
CID 62248478
4-benzamido-N-(1-phenylethyl)benzamide
CID 17153199
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347
N-[1-(4-methylphenyl)ethyl]-4-pyrrol-1-ylbenzamide
CID 55577942
3-[(4-methylbenzoyl)amino]-N-[(1R)-1-phenylethyl]pyrazine-2-carboxamide
CID 95101240

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-1-phenylethyl]benzamide?
The IUPAC name of 4-methyl-N-[(1S)-1-phenylethyl]benzamide (CID 730323) is 4-methyl-N-[(1S)-1-phenylethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1S)-1-phenylethyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1S)-1-phenylethyl]benzamide is Cc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-[(1S)-1-phenylethyl]benzamide?
The InChIKey is QYZVNRJWKFCVMG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H17NO/c1-12-8-10-15(11-9-12)16(18)17-13(2)14-6-4-3-5-7-14/h3-11,13H,1-2H3,(H,17,18)/t13-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-1-phenylethyl]benzamide?
4-methyl-N-[(1S)-1-phenylethyl]benzamide has a molecular weight of 239.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-1-phenylethyl]benzamide is sourced from PubChem (CID 730323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).