3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide

C15H23NO — CID 110316745

IUPAC3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide
SMILESCc1ccc(C(C(=O)NC(C)C)C(C)C)cc1
InChIInChI=1S/C15H23NO/c1-10(2)14(15(17)16-11(3)4)13-8-6-12(5)7-9-13/h6-11,14H,1-5H3,(H,16,17)
InChIKeyTXEPTVKGZDJABT-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.26
Rot. Bonds4

About 3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide

3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide (PubChem CID 110316745) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide
PubChem CID110316745
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide
SMILESCc1ccc(C(C(=O)NC(C)C)C(C)C)cc1
InChIInChI=1S/C15H23NO/c1-10(2)14(15(17)16-11(3)4)13-8-6-12(5)7-9-13/h6-11,14H,1-5H3,(H,16,17)
InChIKeyTXEPTVKGZDJABT-UHFFFAOYSA-N
XLogP3.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-2-(4-methylphenyl)butanamide
CID 118371719
3-methyl-2-(4-methylphenyl)butanoyl chloride
CID 14359807
(2S)-2-[(3-methyl-2-phenylbutanoyl)amino]propanoic acid
CID 119942798
2-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]-3-methylbutanamide
CID 79030912
2,2-dichloro-N-[[(2,2-dichloroacetyl)amino]-(4-methylphenyl)methyl]acetamide
CID 71443799
(2R)-2-amino-3-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 81357169
2-amino-3-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]butanamide
CID 81356918
N,N-diethyl-3-methyl-2-(4-methylphenyl)butanamide
CID 110316778
(2R)-2-amino-3-methyl-N-[1-(4-methylphenyl)ethyl]butanamide
CID 79012258
(2R)-2-(4-chlorophenyl)-3-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 7945468
(2S)-2-amino-N-[1-(4-methylphenyl)ethyl]propanamide
CID 61147129
2-(4-chlorophenyl)-N-(4-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 115770820

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide?
The IUPAC name of 3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide (CID 110316745) is 3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide is Cc1ccc(C(C(=O)NC(C)C)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide?
The InChIKey is TXEPTVKGZDJABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-10(2)14(15(17)16-11(3)4)13-8-6-12(5)7-9-13/h6-11,14H,1-5H3,(H,16,17).
What are the key properties of 3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide?
3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide has a molecular weight of 233.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)-N-propan-2-ylbutanamide is sourced from PubChem (CID 110316745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).