2-(4-methylphenyl)hexanediamide

C13H18N2O2 — CID 174359492

IUPAC2-(4-methylphenyl)hexanediamide
SMILESCc1ccc(C(CCCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-9-5-7-10(8-6-9)11(13(15)17)3-2-4-12(14)16/h5-8,11H,2-4H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyTUIJOUSCNOMVQK-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.22
Rot. Bonds6

About 2-(4-methylphenyl)hexanediamide

2-(4-methylphenyl)hexanediamide (PubChem CID 174359492) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)hexanediamide.

Molecular Properties

Compound Name2-(4-methylphenyl)hexanediamide
PubChem CID174359492
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(4-methylphenyl)hexanediamide
SMILESCc1ccc(C(CCCC(N)=O)C(N)=O)cc1
InChIInChI=1S/C13H18N2O2/c1-9-5-7-10(8-6-9)11(13(15)17)3-2-4-12(14)16/h5-8,11H,2-4H2,1H3,(H2,14,16)(H2,15,17)
InChIKeyTUIJOUSCNOMVQK-UHFFFAOYSA-N
XLogP1.22
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylphenyl)hexanediamide 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-(4-methylphenyl)pentanamide
CID 91135302
2-(4-methoxyphenyl)octanediamide
CID 170724360
2-[4-(1-amino-1-oxooctadecan-2-yl)phenyl]octadecanamide
CID 18459559
2-(4-ethylsulfanylphenyl)pentanediamide
CID 54414238
2-(4-butoxyphenyl)pentanediamide
CID 20546483
2-phenylheptanamide
CID 67221214
ethane;pentan-2-one;2-phenylhexanamide
CID 143363215
2,3-bis(4-methylphenyl)propanehydrazide
CID 70580652
1-[4-amino-1-[carbamoyl(sulfino)amino]-4-oxobutyl]-4-methylbenzene
CID 57209895
(3S)-4-hydroxy-3-(4-methylphenyl)butan-2-one
CID 122606253
ethane;3-(4-methylphenyl)propanamide
CID 142510251
2,3-dihydroxy-3-(4-methylphenyl)propanamide
CID 171867589

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)hexanediamide?
The IUPAC name of 2-(4-methylphenyl)hexanediamide (CID 174359492) is 2-(4-methylphenyl)hexanediamide.
What is the SMILES notation for 2-(4-methylphenyl)hexanediamide?
The canonical SMILES for 2-(4-methylphenyl)hexanediamide is Cc1ccc(C(CCCC(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)hexanediamide?
The InChIKey is TUIJOUSCNOMVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-5-7-10(8-6-9)11(13(15)17)3-2-4-12(14)16/h5-8,11H,2-4H2,1H3,(H2,14,16)(H2,15,17).
What are the key properties of 2-(4-methylphenyl)hexanediamide?
2-(4-methylphenyl)hexanediamide has a molecular weight of 234.30 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)hexanediamide is sourced from PubChem (CID 174359492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).