N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide

C12H19NO2 — CID 143991080

IUPACN-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide
SMILESCOC1C=CC(CN(C)C(C)=O)=C(C)C1
InChIInChI=1S/C12H19NO2/c1-9-7-12(15-4)6-5-11(9)8-13(3)10(2)14/h5-6,12H,7-8H2,1-4H3
InChIKeyBFXHVCFGEZHEQP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.76
Rot. Bonds3

About N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide

N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide (PubChem CID 143991080) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide
PubChem CID143991080
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide
SMILESCOC1C=CC(CN(C)C(C)=O)=C(C)C1
InChIInChI=1S/C12H19NO2/c1-9-7-12(15-4)6-5-11(9)8-13(3)10(2)14/h5-6,12H,7-8H2,1-4H3
InChIKeyBFXHVCFGEZHEQP-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide 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

N-[(2E,7Z)-4-methoxy-5-methyl-6-methylidenenona-2,7-dienyl]-N-methylformamide
CID 126583267
N-methyl-N-[(3Z)-2-methylidene-3-prop-2-enylideneoxan-4-yl]acetamide
CID 144219862
1-[(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl]ethanone
CID 144515554
1-[(3Z,8E)-7-methoxy-3-methyl-1-azacyclotetradeca-3,8-dien-1-yl]ethanone
CID 144515558
4-ethenyl-3-[(Z)-3-methoxybut-1-enyl]-1-methyl-2H-pyrrol-5-one
CID 143990612

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide?
The IUPAC name of N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide (CID 143991080) is N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide is COC1C=CC(CN(C)C(C)=O)=C(C)C1.
What is the InChIKey of N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide?
The InChIKey is BFXHVCFGEZHEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9-7-12(15-4)6-5-11(9)8-13(3)10(2)14/h5-6,12H,7-8H2,1-4H3.
What are the key properties of N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide?
N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide has a molecular weight of 209.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylcyclohexa-1,5-dien-1-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 143991080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).