1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone

C19H25NO2 — CID 139438563

IUPAC1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone
SMILESCC(=O)C1=CC=C(N(C)C2=CC=C(C(C)=O)CC2C)C(C)C1
InChIInChI=1S/C19H25NO2/c1-12-10-16(14(3)21)6-8-18(12)20(5)19-9-7-17(15(4)22)11-13(19)2/h6-9,12-13H,10-11H2,1-5H3
InChIKeyWTXWXJYXKVFYAX-UHFFFAOYSA-N
MW299.41 g/mol
LogP3.80
Rot. Bonds4

About 1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone

1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone (PubChem CID 139438563) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone
PubChem CID139438563
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone
SMILESCC(=O)C1=CC=C(N(C)C2=CC=C(C(C)=O)CC2C)C(C)C1
InChIInChI=1S/C19H25NO2/c1-12-10-16(14(3)21)6-8-18(12)20(5)19-9-7-17(15(4)22)11-13(19)2/h6-9,12-13H,10-11H2,1-5H3
InChIKeyWTXWXJYXKVFYAX-UHFFFAOYSA-N
XLogP3.80
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone 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

1-(3a,4-dihydro-1,3-benzodioxol-5-yl)ethanone
CID 154561296
1-(4-methylcyclopenten-1-yl)ethanone
CID 67159901
carbon monoxide;1-[(5S)-5-hydroxycyclohexa-1,3-dien-1-yl]ethanone;iron
CID 14788585
1-(6-acetylcyclohepta-1,3,5-trien-1-yl)ethanone
CID 11378812
N-methoxy-N-methyl-1,2,3,3a,6,6a-hexahydrocyclopenta[c]pyrrole-5-carboxamide
CID 87462651
1-(3-ethylcyclobuten-1-yl)ethanone
CID 130027343
1-[(5R)-3,3,5-trimethylcyclohexen-1-yl]ethanone
CID 135353184
1-(5-methylcyclohepta-1,3-dien-1-yl)ethanone
CID 91374956
5-acetyl-2-methylcyclohept-4-en-1-one
CID 130027627
ethane;1-(4-fluorocyclohexa-1,3-dien-1-yl)ethanone
CID 143443539
2-(4-fluoro-6-methylcyclohexa-1,3-dien-1-yl)-N-methoxy-N-methylacetamide
CID 146388908
methyl (2R)-4-acetyl-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 93498952

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone?
The IUPAC name of 1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone (CID 139438563) is 1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone is CC(=O)C1=CC=C(N(C)C2=CC=C(C(C)=O)CC2C)C(C)C1.
What is the InChIKey of 1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone?
The InChIKey is WTXWXJYXKVFYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO2/c1-12-10-16(14(3)21)6-8-18(12)20(5)19-9-7-17(15(4)22)11-13(19)2/h6-9,12-13H,10-11H2,1-5H3.
What are the key properties of 1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone?
1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone has a molecular weight of 299.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-acetyl-6-methylcyclohexa-1,3-dien-1-yl)-methylamino]-5-methylcyclohexa-1,3-dien-1-yl]ethanone is sourced from PubChem (CID 139438563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).