1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide

C15H25NO — CID 175122871

IUPAC1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide
SMILESCCCCC1(C(N)=O)C=CC(C)=C(C)C1(C)C
InChIInChI=1S/C15H25NO/c1-6-7-9-15(13(16)17)10-8-11(2)12(3)14(15,4)5/h8,10H,6-7,9H2,1-5H3,(H2,16,17)
InChIKeyQERRDRZQKOFFEN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.58
Rot. Bonds4

About 1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide

1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide (PubChem CID 175122871) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound Name1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide
PubChem CID175122871
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide
SMILESCCCCC1(C(N)=O)C=CC(C)=C(C)C1(C)C
InChIInChI=1S/C15H25NO/c1-6-7-9-15(13(16)17)10-8-11(2)12(3)14(15,4)5/h8,10H,6-7,9H2,1-5H3,(H2,16,17)
InChIKeyQERRDRZQKOFFEN-UHFFFAOYSA-N
XLogP3.58
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide 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

1-hexyl-4-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 150777608
5-butyl-5-(3,5-dimethylphenyl)furan-2-one
CID 101480693
5-butyl-6-(6-butyl-3,6-dimethylcyclohexa-2,4-dien-1-yl)sulfonyl-2,5-dimethylcyclohexa-1,3-diene
CID 20501207
1-butylcyclohexane-1-carboxamide
CID 57018178
1-nonyl-2-octylcyclohexa-3,5-diene-1,2-dicarboxylic acid
CID 174885576
6-amino-5-(2-ethylhexyl)-1,4-dimethylcyclohexa-2,4-diene-1-carboxylic acid
CID 66602510
1,3-dimethyl-4-oxocyclohexa-2,5-diene-1-carboxamide
CID 58388165
[(1S,2S)-2-butyl-2-methyl-1-phenylcyclopropyl]methanol
CID 101336318
4,4-dibutylcyclohex-2-en-1-one
CID 14836303
(5-butyl-5-methylcyclohexa-1,3-dien-1-yl)sulfonylurea
CID 151549279
1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152768164
5-ethoxy-4,6,6-trimethyl-1-propylcyclohexa-2,4-diene-1-sulfonic acid
CID 88644812

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of 1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide (CID 175122871) is 1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for 1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for 1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide is CCCCC1(C(N)=O)C=CC(C)=C(C)C1(C)C.
What is the InChIKey of 1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide?
The InChIKey is QERRDRZQKOFFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-7-9-15(13(16)17)10-8-11(2)12(3)14(15,4)5/h8,10H,6-7,9H2,1-5H3,(H2,16,17).
What are the key properties of 1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide?
1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4,5,6,6-tetramethylcyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 175122871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).