3-(3,4-dimethylphenyl)-N-methylpentanamide

C14H21NO — CID 82079638

IUPAC3-(3,4-dimethylphenyl)-N-methylpentanamide
SMILESCCC(CC(=O)NC)c1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO/c1-5-12(9-14(16)15-4)13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,15,16)
InChIKeyIZKODOMFSBTODA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-N-methylpentanamide

3-(3,4-dimethylphenyl)-N-methylpentanamide (PubChem CID 82079638) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-methylpentanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-methylpentanamide
PubChem CID82079638
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(3,4-dimethylphenyl)-N-methylpentanamide
SMILESCCC(CC(=O)NC)c1ccc(C)c(C)c1
InChIInChI=1S/C14H21NO/c1-5-12(9-14(16)15-4)13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,15,16)
InChIKeyIZKODOMFSBTODA-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4-dimethylphenyl)hexane-1,2-diol
CID 83927968
3-(3,4-dimethylphenyl)-3-(methylamino)propanoic acid
CID 65236773
2-(3,4-dimethylanilino)-N-methylacetamide
CID 28580460
4-hex-5-yn-3-yl-1,2-dimethylbenzene
CID 83927933
2-amino-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 116850370
2-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119225866
3-[3-(4-methylphenyl)pentanoylamino]propanoic acid
CID 119177620
2-ethyl-1-methyl-4-[(3S)-5-methylhex-5-en-3-yl]benzene
CID 155697638
3-(3-methyl-4-propan-2-yloxyphenyl)pentanoic acid
CID 112516192
N-methyl-3-(4-methylphenyl)butanamide
CID 82075625
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
N-butan-2-yl-3-[1-(3,4-dimethylphenyl)ethylamino]propanamide
CID 61022459

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-methylpentanamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-methylpentanamide (CID 82079638) is 3-(3,4-dimethylphenyl)-N-methylpentanamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-methylpentanamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-methylpentanamide is CCC(CC(=O)NC)c1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-methylpentanamide?
The InChIKey is IZKODOMFSBTODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-12(9-14(16)15-4)13-7-6-10(2)11(3)8-13/h6-8,12H,5,9H2,1-4H3,(H,15,16).
What are the key properties of 3-(3,4-dimethylphenyl)-N-methylpentanamide?
3-(3,4-dimethylphenyl)-N-methylpentanamide has a molecular weight of 219.33 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-methylpentanamide is sourced from PubChem (CID 82079638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).