4-methyl-N-[(3-methylphenyl)methyl]pentanamide

C14H21NO — CID 134063149

IUPAC4-methyl-N-[(3-methylphenyl)methyl]pentanamide
SMILESCc1cccc(CNC(=O)CCC(C)C)c1
InChIInChI=1S/C14H21NO/c1-11(2)7-8-14(16)15-10-13-6-4-5-12(3)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,15,16)
InChIKeyQBPIFLWSRBAUNS-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.05
Rot. Bonds5

About 4-methyl-N-[(3-methylphenyl)methyl]pentanamide

4-methyl-N-[(3-methylphenyl)methyl]pentanamide (PubChem CID 134063149) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-methyl-N-[(3-methylphenyl)methyl]pentanamide.

Molecular Properties

Compound Name4-methyl-N-[(3-methylphenyl)methyl]pentanamide
PubChem CID134063149
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name4-methyl-N-[(3-methylphenyl)methyl]pentanamide
SMILESCc1cccc(CNC(=O)CCC(C)C)c1
InChIInChI=1S/C14H21NO/c1-11(2)7-8-14(16)15-10-13-6-4-5-12(3)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,15,16)
InChIKeyQBPIFLWSRBAUNS-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-methylphenyl)methyl]-3-(2-methylpropylamino)propanamide
CID 109012751
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
3-chloro-N-[(3-methylphenyl)methyl]propanamide
CID 60913115
3-methoxy-N-[(3-methylphenyl)methyl]propanamide
CID 71248457
methyl 3-[(4-methylpentanoylamino)methyl]benzoate
CID 144669400
2-[(4-methylpentanoylamino)methyl]-3-(3-methylphenyl)propanoic acid
CID 119242773
2-bromo-N-[(3-methylphenyl)methyl]acetamide
CID 63679307
2-fluoro-N-[(3-methylphenyl)methyl]acetamide
CID 130011767
1-[(3-methylphenyl)methyl]-3-(2-methylpropyl)urea
CID 47159778
N-[(3-methylphenyl)methyl]-4-oxo-4-phenylbutanamide
CID 33278184
2-(methylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60913954
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(3-methylphenyl)methyl]pentanamide?
The IUPAC name of 4-methyl-N-[(3-methylphenyl)methyl]pentanamide (CID 134063149) is 4-methyl-N-[(3-methylphenyl)methyl]pentanamide.
What is the SMILES notation for 4-methyl-N-[(3-methylphenyl)methyl]pentanamide?
The canonical SMILES for 4-methyl-N-[(3-methylphenyl)methyl]pentanamide is Cc1cccc(CNC(=O)CCC(C)C)c1.
What is the InChIKey of 4-methyl-N-[(3-methylphenyl)methyl]pentanamide?
The InChIKey is QBPIFLWSRBAUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(2)7-8-14(16)15-10-13-6-4-5-12(3)9-13/h4-6,9,11H,7-8,10H2,1-3H3,(H,15,16).
What are the key properties of 4-methyl-N-[(3-methylphenyl)methyl]pentanamide?
4-methyl-N-[(3-methylphenyl)methyl]pentanamide has a molecular weight of 219.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(3-methylphenyl)methyl]pentanamide is sourced from PubChem (CID 134063149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).