4,6-dihexylbenzene-1,3-dicarboxamide

C20H32N2O2 — CID 140600774

IUPAC4,6-dihexylbenzene-1,3-dicarboxamide
SMILESCCCCCCc1cc(CCCCCC)c(C(N)=O)cc1C(N)=O
InChIInChI=1S/C20H32N2O2/c1-3-5-7-9-11-15-13-16(12-10-8-6-4-2)18(20(22)24)14-17(15)19(21)23/h13-14H,3-12H2,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyMMQKTDINVRKVHV-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.13
Rot. Bonds12

About 4,6-dihexylbenzene-1,3-dicarboxamide

4,6-dihexylbenzene-1,3-dicarboxamide (PubChem CID 140600774) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 4,6-dihexylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4,6-dihexylbenzene-1,3-dicarboxamide
PubChem CID140600774
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name4,6-dihexylbenzene-1,3-dicarboxamide
SMILESCCCCCCc1cc(CCCCCC)c(C(N)=O)cc1C(N)=O
InChIInChI=1S/C20H32N2O2/c1-3-5-7-9-11-15-13-16(12-10-8-6-4-2)18(20(22)24)14-17(15)19(21)23/h13-14H,3-12H2,1-2H3,(H2,21,23)(H2,22,24)
InChIKeyMMQKTDINVRKVHV-UHFFFAOYSA-N
XLogP4.13
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,6-dihexylbenzene-1,3-dicarboxamide 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-octylbenzamide
CID 11148995
2-decylbenzene-1,4-dicarboxamide
CID 141297186
2-(2-pentylphenyl)benzamide
CID 174986965
2-carbamoyl-6-octadecylbenzoic acid
CID 69046892
3-decylbenzene-1,2,4,5-tetracarboxamide
CID 175294645
2-butylbenzamide
CID 15468173
zinc;1,2-di(tetradecyl)benzene;dicarbamothioate
CID 173210001
4-decyl-2-fluoro-3-methylbenzamide
CID 57359826
4-amino-2-hexadecylbenzoic acid
CID 167455079
3-carbamoyl-2,6-dioctadecylbenzoic acid
CID 68723521
carbonic acid;1,2-dihexylbenzene
CID 174444225
4,6-dibutylbenzene-1,3-dicarboxylic acid
CID 139637590

Frequently Asked Questions

What is the IUPAC name of 4,6-dihexylbenzene-1,3-dicarboxamide?
The IUPAC name of 4,6-dihexylbenzene-1,3-dicarboxamide (CID 140600774) is 4,6-dihexylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 4,6-dihexylbenzene-1,3-dicarboxamide?
The canonical SMILES for 4,6-dihexylbenzene-1,3-dicarboxamide is CCCCCCc1cc(CCCCCC)c(C(N)=O)cc1C(N)=O.
What is the InChIKey of 4,6-dihexylbenzene-1,3-dicarboxamide?
The InChIKey is MMQKTDINVRKVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-3-5-7-9-11-15-13-16(12-10-8-6-4-2)18(20(22)24)14-17(15)19(21)23/h13-14H,3-12H2,1-2H3,(H2,21,23)(H2,22,24).
What are the key properties of 4,6-dihexylbenzene-1,3-dicarboxamide?
4,6-dihexylbenzene-1,3-dicarboxamide has a molecular weight of 332.49 g/mol, XLogP of 4.13, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dihexylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 140600774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).