2-methyl-N-[1-(4-methylphenyl)propyl]butanamide

C15H23NO — CID 134024126

IUPAC2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
SMILESCCC(C)C(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-5-12(4)15(17)16-14(6-2)13-9-7-11(3)8-10-13/h7-10,12,14H,5-6H2,1-4H3,(H,16,17)
InChIKeyUQOIOOPUUSYMPO-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.61
Rot. Bonds5

About 2-methyl-N-[1-(4-methylphenyl)propyl]butanamide

2-methyl-N-[1-(4-methylphenyl)propyl]butanamide (PubChem CID 134024126) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-methyl-N-[1-(4-methylphenyl)propyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
PubChem CID134024126
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
SMILESCCC(C)C(=O)NC(CC)c1ccc(C)cc1
InChIInChI=1S/C15H23NO/c1-5-12(4)15(17)16-14(6-2)13-9-7-11(3)8-10-13/h7-10,12,14H,5-6H2,1-4H3,(H,16,17)
InChIKeyUQOIOOPUUSYMPO-UHFFFAOYSA-N
XLogP3.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-methyl-N-[1-(4-methylphenyl)propyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 95358385
2-amino-N-[1-(4-methylphenyl)propyl]propanamide
CID 43707472
2-amino-3-methyl-N-[1-(4-methylphenyl)propyl]pentanamide
CID 43707477
2-(carbamoylamino)-N-[1-(4-methylphenyl)propyl]propanamide
CID 112766085
(2S)-2-amino-N-[1-(4-methylphenyl)propyl]pentanamide
CID 107568564
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 94843776
3-(4-bromopyrazol-1-yl)-2-methyl-N-[1-(4-methylphenyl)propyl]propanamide
CID 19564662
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933
N-[1-(4-methylphenyl)propyl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19536949
2-(4-fluorophenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328401

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(4-methylphenyl)propyl]butanamide?
The IUPAC name of 2-methyl-N-[1-(4-methylphenyl)propyl]butanamide (CID 134024126) is 2-methyl-N-[1-(4-methylphenyl)propyl]butanamide.
What is the SMILES notation for 2-methyl-N-[1-(4-methylphenyl)propyl]butanamide?
The canonical SMILES for 2-methyl-N-[1-(4-methylphenyl)propyl]butanamide is CCC(C)C(=O)NC(CC)c1ccc(C)cc1.
What is the InChIKey of 2-methyl-N-[1-(4-methylphenyl)propyl]butanamide?
The InChIKey is UQOIOOPUUSYMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-5-12(4)15(17)16-14(6-2)13-9-7-11(3)8-10-13/h7-10,12,14H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-N-[1-(4-methylphenyl)propyl]butanamide?
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide has a molecular weight of 233.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(4-methylphenyl)propyl]butanamide is sourced from PubChem (CID 134024126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).