3-(2,5-dimethylphenyl)-4-methylpentanamide

C14H21NO — CID 82079612

IUPAC3-(2,5-dimethylphenyl)-4-methylpentanamide
SMILESCc1ccc(C)c(C(CC(N)=O)C(C)C)c1
InChIInChI=1S/C14H21NO/c1-9(2)12(8-14(15)16)13-7-10(3)5-6-11(13)4/h5-7,9,12H,8H2,1-4H3,(H2,15,16)
InChIKeyHQTCCFFXTWJFQU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.92
Rot. Bonds4

About 3-(2,5-dimethylphenyl)-4-methylpentanamide

3-(2,5-dimethylphenyl)-4-methylpentanamide (PubChem CID 82079612) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-4-methylpentanamide.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-4-methylpentanamide
PubChem CID82079612
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name3-(2,5-dimethylphenyl)-4-methylpentanamide
SMILESCc1ccc(C)c(C(CC(N)=O)C(C)C)c1
InChIInChI=1S/C14H21NO/c1-9(2)12(8-14(15)16)13-7-10(3)5-6-11(13)4/h5-7,9,12H,8H2,1-4H3,(H2,15,16)
InChIKeyHQTCCFFXTWJFQU-UHFFFAOYSA-N
XLogP2.92
TPSA43.09 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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2,5-dimethylphenyl)-6-methylheptan-2-one
CID 86148672
3-[1-(2,5-dimethylphenyl)ethylamino]propanamide
CID 43398362
4-(2,5-dimethylphenyl)-4-hydroxybutanamide
CID 82112992
3-(2,5-dimethylphenyl)-4-methylpentan-2-one
CID 135184841
4-methyl-3-phenylpentanamide
CID 66616845
2-[2-[1-(2,5-dimethylphenyl)ethylamino]ethoxy]acetamide
CID 106235967
4-amino-4-(2,5-dimethylphenyl)-2-methylbutanoic acid
CID 116938367
4-(2-amino-5-methylphenyl)-3,4-dihydroxybutanamide
CID 171898906
2-(aminomethyl)-3-(2,5-dimethylphenyl)butanoic acid
CID 69267265
3-(2,4-dimethylphenoxy)butanamide
CID 82077472
1-(2,5-dimethylphenyl)ethanamine
CID 4991344
2-[2-[1-(2,5-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43738423

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-4-methylpentanamide?
The IUPAC name of 3-(2,5-dimethylphenyl)-4-methylpentanamide (CID 82079612) is 3-(2,5-dimethylphenyl)-4-methylpentanamide.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-4-methylpentanamide?
The canonical SMILES for 3-(2,5-dimethylphenyl)-4-methylpentanamide is Cc1ccc(C)c(C(CC(N)=O)C(C)C)c1.
What is the InChIKey of 3-(2,5-dimethylphenyl)-4-methylpentanamide?
The InChIKey is HQTCCFFXTWJFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-9(2)12(8-14(15)16)13-7-10(3)5-6-11(13)4/h5-7,9,12H,8H2,1-4H3,(H2,15,16).
What are the key properties of 3-(2,5-dimethylphenyl)-4-methylpentanamide?
3-(2,5-dimethylphenyl)-4-methylpentanamide has a molecular weight of 219.33 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-4-methylpentanamide is sourced from PubChem (CID 82079612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).