N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide

C15H25NO — CID 54014302

IUPACN,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1=CC=CCC1
InChIInChI=1S/C15H25NO/c1-12(2)10-16(11-13(3)4)15(17)14-8-6-5-7-9-14/h5-6,8,12-13H,7,9-11H2,1-4H3
InChIKeyHLWXKHLCNQVJAY-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.40
Rot. Bonds5

About N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide

N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 54014302) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID54014302
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCC(C)CN(CC(C)C)C(=O)C1=CC=CCC1
InChIInChI=1S/C15H25NO/c1-12(2)10-16(11-13(3)4)15(17)14-8-6-5-7-9-14/h5-6,8,12-13H,7,9-11H2,1-4H3
InChIKeyHLWXKHLCNQVJAY-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-bis(2-methylpropyl)cyclohexa-1,3-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

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide (CID 54014302) is N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide is CC(C)CN(CC(C)C)C(=O)C1=CC=CCC1.
What is the InChIKey of N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is HLWXKHLCNQVJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-12(2)10-16(11-13(3)4)15(17)14-8-6-5-7-9-14/h5-6,8,12-13H,7,9-11H2,1-4H3.
What are the key properties of N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide?
N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 235.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 54014302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).