2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide

C18H21NO — CID 26778990

IUPAC2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
SMILESCc1ccc(C(=O)NC[C@@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO/c1-13-9-10-17(14(2)11-13)18(20)19-12-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyCZWLAVYRVRSRAR-OAHLLOKOSA-N
MW267.37 g/mol
LogP3.84
Rot. Bonds4

About 2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide

2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide (PubChem CID 26778990) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
PubChem CID26778990
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
SMILESCc1ccc(C(=O)NC[C@@H](C)c2ccccc2)c(C)c1
InChIInChI=1S/C18H21NO/c1-13-9-10-17(14(2)11-13)18(20)19-12-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m1/s1
InChIKeyCZWLAVYRVRSRAR-OAHLLOKOSA-N
XLogP3.84
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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-4-methyl-N-(2-phenylpropyl)benzamide
CID 47098893
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
CID 114308285
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
2-benzyl-3-[(2,4-dimethylbenzoyl)amino]propanoic acid
CID 119233647
N'-(2,4-dimethylphenyl)-N-[(2S)-2-phenylpropyl]oxamide
CID 40977221
4-methyl-3-(3-methylbut-2-en-2-yl)-N-[(2R)-2-phenylpropyl]benzamide
CID 177366976
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide
CID 120653289
N-[2-(4-fluorophenyl)propyl]-2,5-dimethylbenzamide
CID 110279740
4-fluoro-2-hydroxy-N-(2-phenylpropyl)benzamide
CID 103829491
N-[2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]-2,4-dimethylbenzamide
CID 111423693
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide;hydrochloride
CID 120653288
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide (CID 26778990) is 2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide is Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide?
The InChIKey is CZWLAVYRVRSRAR-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21NO/c1-13-9-10-17(14(2)11-13)18(20)19-12-15(3)16-7-5-4-6-8-16/h4-11,15H,12H2,1-3H3,(H,19,20)/t15-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide?
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide has a molecular weight of 267.37 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide is sourced from PubChem (CID 26778990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).