N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide

C13H19NO3 — CID 10083126

IUPACN-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
SMILESCOC1=C(OC)C/C(=N/C(=O)C(C)(C)C)C=C1
InChIInChI=1S/C13H19NO3/c1-13(2,3)12(15)14-9-6-7-10(16-4)11(8-9)17-5/h6-7H,8H2,1-5H3/b14-9+
InChIKeyFNWULHHPJIGASL-NTEUORMPSA-N
MW237.30 g/mol
LogP2.46
Rot. Bonds2

About N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide

N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide (PubChem CID 10083126) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
PubChem CID10083126
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
SMILESCOC1=C(OC)C/C(=N/C(=O)C(C)(C)C)C=C1
InChIInChI=1S/C13H19NO3/c1-13(2,3)12(15)14-9-6-7-10(16-4)11(8-9)17-5/h6-7H,8H2,1-5H3/b14-9+
InChIKeyFNWULHHPJIGASL-NTEUORMPSA-N
XLogP2.46
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methoxy-3,4-dihydro-1-benzazepin-2-one
CID 146170528
N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)acetamide
CID 91419256
5-Allyloxy-3,3,8-trimethylcarbostyril
CID 131719644
lithium N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
CID 10083125

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide?
The IUPAC name of N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide (CID 10083126) is N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide is COC1=C(OC)C/C(=N/C(=O)C(C)(C)C)C=C1.
What is the InChIKey of N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide?
The InChIKey is FNWULHHPJIGASL-NTEUORMPSA-N. The full InChI is InChI=1S/C13H19NO3/c1-13(2,3)12(15)14-9-6-7-10(16-4)11(8-9)17-5/h6-7H,8H2,1-5H3/b14-9+.
What are the key properties of N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide?
N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxycyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide is sourced from PubChem (CID 10083126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).