N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide

C15H23NO2 — CID 123310747

IUPACN-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide
SMILESCCCC(=O)NC1CC1C1C=CC(OC)=CC1C
InChIInChI=1S/C15H23NO2/c1-4-5-15(17)16-14-9-13(14)12-7-6-11(18-3)8-10(12)2/h6-8,10,12-14H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyIJTZPSIQUOWCKE-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.64
Rot. Bonds5

About N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide

N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide (PubChem CID 123310747) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide
PubChem CID123310747
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide
SMILESCCCC(=O)NC1CC1C1C=CC(OC)=CC1C
InChIInChI=1S/C15H23NO2/c1-4-5-15(17)16-14-9-13(14)12-7-6-11(18-3)8-10(12)2/h6-8,10,12-14H,4-5,9H2,1-3H3,(H,16,17)
InChIKeyIJTZPSIQUOWCKE-UHFFFAOYSA-N
XLogP2.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide?
The IUPAC name of N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide (CID 123310747) is N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide.
What is the SMILES notation for N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide?
The canonical SMILES for N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide is CCCC(=O)NC1CC1C1C=CC(OC)=CC1C.
What is the InChIKey of N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide?
The InChIKey is IJTZPSIQUOWCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-15(17)16-14-9-13(14)12-7-6-11(18-3)8-10(12)2/h6-8,10,12-14H,4-5,9H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide?
N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide has a molecular weight of 249.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-6-methylcyclohexa-2,4-dien-1-yl)cyclopropyl]butanamide is sourced from PubChem (CID 123310747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).