N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide

C19H25NO — CID 11022412

IUPACN-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)C1(C)C=CCC=C1
InChIInChI=1S/C19H25NO/c1-3-4-15-20(16-17-11-7-5-8-12-17)18(21)19(2)13-9-6-10-14-19/h5,7-14H,3-4,6,15-16H2,1-2H3
InChIKeyYLPRQFCKQLEAOK-UHFFFAOYSA-N
MW283.41 g/mol
LogP4.34
Rot. Bonds6

About N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide

N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide (PubChem CID 11022412) has the molecular formula C19H25NO and a molecular weight of 283.41 g/mol. Its IUPAC name is N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide
PubChem CID11022412
Molecular FormulaC19H25NO
Molecular Weight283.41 g/mol
Exact Mass283.19
IUPAC NameN-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide
SMILESCCCCN(Cc1ccccc1)C(=O)C1(C)C=CCC=C1
InChIInChI=1S/C19H25NO/c1-3-4-15-20(16-17-11-7-5-8-12-17)18(21)19(2)13-9-6-10-14-19/h5,7-14H,3-4,6,15-16H2,1-2H3
InChIKeyYLPRQFCKQLEAOK-UHFFFAOYSA-N
XLogP4.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide?
The IUPAC name of N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide (CID 11022412) is N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide.
What is the SMILES notation for N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide?
The canonical SMILES for N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide is CCCCN(Cc1ccccc1)C(=O)C1(C)C=CCC=C1.
What is the InChIKey of N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide?
The InChIKey is YLPRQFCKQLEAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-3-4-15-20(16-17-11-7-5-8-12-17)18(21)19(2)13-9-6-10-14-19/h5,7-14H,3-4,6,15-16H2,1-2H3.
What are the key properties of N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide?
N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide has a molecular weight of 283.41 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-1-methylcyclohexa-2,5-diene-1-carboxamide is sourced from PubChem (CID 11022412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).