3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide

C20H25NO — CID 133160183

IUPAC3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCc1ccc(C(=O)NC(CC(C)C)c2ccccc2)cc1C
InChIInChI=1S/C20H25NO/c1-14(2)12-19(17-8-6-5-7-9-17)21-20(22)18-11-10-15(3)16(4)13-18/h5-11,13-14,19H,12H2,1-4H3,(H,21,22)
InChIKeyBYSJGGPMHIRNSE-UHFFFAOYSA-N
MW295.43 g/mol
LogP4.82
Rot. Bonds5

About 3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide

3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide (PubChem CID 133160183) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
PubChem CID133160183
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
SMILESCc1ccc(C(=O)NC(CC(C)C)c2ccccc2)cc1C
InChIInChI=1S/C20H25NO/c1-14(2)12-19(17-8-6-5-7-9-17)21-20(22)18-11-10-15(3)16(4)13-18/h5-11,13-14,19H,12H2,1-4H3,(H,21,22)
InChIKeyBYSJGGPMHIRNSE-UHFFFAOYSA-N
XLogP4.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,5-trimethyl-N-[(1S)-3-methyl-1-phenylbutyl]benzamide
CID 100710084
N-(3-methyl-1-phenylbutyl)benzamide
CID 46770250
N-[1-(4-methoxyphenyl)-3-methylbutyl]-3,4-dimethylbenzamide
CID 133202746
4-amino-N-(3-methyl-1-phenylbutyl)benzamide
CID 43707132
3-fluoro-4-methoxy-N-(3-methyl-1-phenylbutyl)benzamide
CID 133225144
N-benzhydryl-3,4-dimethylbenzamide
CID 1219840
3-amino-N-(3-methyl-1-phenylbutyl)benzamide;hydrochloride
CID 119689331
4-acetamido-N-(3-methyl-1-phenylbutyl)benzamide
CID 78799180
7-[(3-methyl-1-phenylbutyl)carbamoyl]naphthalene-1-carboxylic acid
CID 23017167
4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43875754
4-chloro-3-(methanesulfonamido)-N-(3-methyl-1-phenylbutyl)benzamide
CID 49018159
4-methoxy-2-methyl-N-[(1S)-3-methyl-1-phenylbutyl]-5-propan-2-ylbenzamide
CID 100715050

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide?
The IUPAC name of 3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide (CID 133160183) is 3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide.
What is the SMILES notation for 3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide?
The canonical SMILES for 3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide is Cc1ccc(C(=O)NC(CC(C)C)c2ccccc2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide?
The InChIKey is BYSJGGPMHIRNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO/c1-14(2)12-19(17-8-6-5-7-9-17)21-20(22)18-11-10-15(3)16(4)13-18/h5-11,13-14,19H,12H2,1-4H3,(H,21,22).
What are the key properties of 3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide?
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide has a molecular weight of 295.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide is sourced from PubChem (CID 133160183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).