4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide

C18H21NO — CID 9050629

IUPAC4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](c2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H21NO/c1-13(2)17(15-7-5-4-6-8-15)19-18(20)16-11-9-14(3)10-12-16/h4-13,17H,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyGWCYFYZLAQQPJZ-KRWDZBQOSA-N
MW267.37 g/mol
LogP4.12
Rot. Bonds4

About 4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide

4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide (PubChem CID 9050629) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
PubChem CID9050629
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
SMILESCc1ccc(C(=O)N[C@H](c2ccccc2)C(C)C)cc1
InChIInChI=1S/C18H21NO/c1-13(2)17(15-7-5-4-6-8-15)19-18(20)16-11-9-14(3)10-12-16/h4-13,17H,1-3H3,(H,19,20)/t17-/m0/s1
InChIKeyGWCYFYZLAQQPJZ-KRWDZBQOSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1S)-2-methyl-1-phenylpropyl]-4-phenylbenzamide
CID 6594177
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
N-[(1S)-2,2-dichloro-1-phenylethyl]-4-methylbenzamide
CID 2303417
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
N-[hydroxy(phenyl)methyl]-4-methylbenzamide
CID 3358853
ethyl 2-hydroxy-3-[(4-methylbenzoyl)amino]-3-phenylpropanoate
CID 175230442
N-[(1S,2R)-2-hydroxy-1-phenylpropyl]benzamide
CID 6934600
3-acetamido-4-methyl-N-(2-methyl-1-phenylpropyl)benzamide
CID 86998008
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
N-[(1R,2S,3R)-3-hydroxy-2-methyl-1,3-diphenylpropyl]benzamide
CID 134903315
N-[2-methyl-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]propyl]benzamide
CID 83288740

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide?
The IUPAC name of 4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide (CID 9050629) is 4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide is Cc1ccc(C(=O)N[C@H](c2ccccc2)C(C)C)cc1.
What is the InChIKey of 4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide?
The InChIKey is GWCYFYZLAQQPJZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21NO/c1-13(2)17(15-7-5-4-6-8-15)19-18(20)16-11-9-14(3)10-12-16/h4-13,17H,1-3H3,(H,19,20)/t17-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide?
4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide has a molecular weight of 267.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-2-methyl-1-phenylpropyl]benzamide is sourced from PubChem (CID 9050629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).