N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide

C13H21NO — CID 163652939

IUPACN-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)C1=CC=CC(C)C1
InChIInChI=1S/C13H21NO/c1-4-6-13(15)14-11(3)12-8-5-7-10(2)9-12/h5,7-8,10-11H,4,6,9H2,1-3H3,(H,14,15)
InChIKeyINUAMPVJPZBGGM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.81
Rot. Bonds4

About N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide

N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide (PubChem CID 163652939) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide.

Molecular Properties

Compound NameN-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide
PubChem CID163652939
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide
SMILESCCCC(=O)NC(C)C1=CC=CC(C)C1
InChIInChI=1S/C13H21NO/c1-4-6-13(15)14-11(3)12-8-5-7-10(2)9-12/h5,7-8,10-11H,4,6,9H2,1-3H3,(H,14,15)
InChIKeyINUAMPVJPZBGGM-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide?
The IUPAC name of N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide (CID 163652939) is N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide.
What is the SMILES notation for N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide?
The canonical SMILES for N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide is CCCC(=O)NC(C)C1=CC=CC(C)C1.
What is the InChIKey of N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide?
The InChIKey is INUAMPVJPZBGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-6-13(15)14-11(3)12-8-5-7-10(2)9-12/h5,7-8,10-11H,4,6,9H2,1-3H3,(H,14,15).
What are the key properties of N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide?
N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide has a molecular weight of 207.32 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methylcyclohexa-1,3-dien-1-yl)ethyl]butanamide is sourced from PubChem (CID 163652939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).