N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide

C11H17NO2 — CID 123993882

IUPACN-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide
SMILESCOCCC(=O)NCC1=CCCC=C1
InChIInChI=1S/C11H17NO2/c1-14-8-7-11(13)12-9-10-5-3-2-4-6-10/h3,5-6H,2,4,7-9H2,1H3,(H,12,13)
InChIKeyHLLUPRKDRWIYTE-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.42
Rot. Bonds5

About N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide

N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide (PubChem CID 123993882) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide
PubChem CID123993882
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide
SMILESCOCCC(=O)NCC1=CCCC=C1
InChIInChI=1S/C11H17NO2/c1-14-8-7-11(13)12-9-10-5-3-2-4-6-10/h3,5-6H,2,4,7-9H2,1H3,(H,12,13)
InChIKeyHLLUPRKDRWIYTE-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide 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-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide (CID 123993882) is N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide is COCCC(=O)NCC1=CCCC=C1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide?
The InChIKey is HLLUPRKDRWIYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-8-7-11(13)12-9-10-5-3-2-4-6-10/h3,5-6H,2,4,7-9H2,1H3,(H,12,13).
What are the key properties of N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide?
N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide has a molecular weight of 195.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylmethyl)-3-methoxypropanamide is sourced from PubChem (CID 123993882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).