2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide

C14H22N2O — CID 103628440

IUPAC2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-6-13(15)14(17)16(4)12-8-10(2)7-11(3)9-12/h7-9,13H,5-6,15H2,1-4H3
InChIKeyODKURUBPBYYUBV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide

2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide (PubChem CID 103628440) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide
PubChem CID103628440
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide
SMILESCCCC(N)C(=O)N(C)c1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-6-13(15)14(17)16(4)12-8-10(2)7-11(3)9-12/h7-9,13H,5-6,15H2,1-4H3
InChIKeyODKURUBPBYYUBV-UHFFFAOYSA-N
XLogP2.39
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide?
The IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide (CID 103628440) is 2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide?
The canonical SMILES for 2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide is CCCC(N)C(=O)N(C)c1cc(C)cc(C)c1.
What is the InChIKey of 2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide?
The InChIKey is ODKURUBPBYYUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-6-13(15)14(17)16(4)12-8-10(2)7-11(3)9-12/h7-9,13H,5-6,15H2,1-4H3.
What are the key properties of 2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide?
2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide has a molecular weight of 234.34 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethylphenyl)-N-methylpentanamide is sourced from PubChem (CID 103628440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).