ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone

C24H35NO — CID 144649667

IUPACethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone
SMILESC=C(C)c1cccc(C(C)=O)n1.CC.CCCc1cccc(CC)c1C
InChIInChI=1S/C12H18.C10H11NO.C2H6/c1-4-7-12-9-6-8-11(5-2)10(12)3;1-7(2)9-5-4-6-10(11-9)8(3)12;1-2/h6,8-9H,4-5,7H2,1-3H3;4-6H,1H2,2-3H3;1-2H3
InChIKeyFQBMIYXQMMUKOF-UHFFFAOYSA-N
MW353.55 g/mol
LogP6.85
Rot. Bonds5

About ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone

ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone (PubChem CID 144649667) has the molecular formula C24H35NO and a molecular weight of 353.55 g/mol. Its IUPAC name is ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone.

Molecular Properties

Compound Nameethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone
PubChem CID144649667
Molecular FormulaC24H35NO
Molecular Weight353.55 g/mol
Exact Mass353.27
IUPAC Nameethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone
SMILESC=C(C)c1cccc(C(C)=O)n1.CC.CCCc1cccc(CC)c1C
InChIInChI=1S/C12H18.C10H11NO.C2H6/c1-4-7-12-9-6-8-11(5-2)10(12)3;1-7(2)9-5-4-6-10(11-9)8(3)12;1-2/h6,8-9H,4-5,7H2,1-3H3;4-6H,1H2,2-3H3;1-2H3
InChIKeyFQBMIYXQMMUKOF-UHFFFAOYSA-N
XLogP6.85
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.55
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-(6-prop-1-en-2-yl-2-pyridinyl)propan-1-one
CID 123520554
bis(2-methyl-3-propylphenyl)methanone
CID 172692899
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
ethane;methyl 3-(3-ethyl-2-methylphenyl)propanoate
CID 144828792
1-[6-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-2-pyridinyl]ethanone
CID 136803768
2-methyl-3-propylbenzamide
CID 66693156
1-[6-(N-butyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanone
CID 138733924
1-[6-[6-[6-[6-(6-acetyl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]-2-pyridinyl]ethanone
CID 86093047
methyl 6-acetylpyridine-2-carboxylate
CID 11412711
1-(6-diethylphosphanyl-2-pyridinyl)ethanone
CID 174420548
1-(2,6-diethylphenyl)ethanone
CID 14939611
CID 88957229
CID 88957229

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone?
The IUPAC name of ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone (CID 144649667) is ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone.
What is the SMILES notation for ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone?
The canonical SMILES for ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone is C=C(C)c1cccc(C(C)=O)n1.CC.CCCc1cccc(CC)c1C.
What is the InChIKey of ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone?
The InChIKey is FQBMIYXQMMUKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C10H11NO.C2H6/c1-4-7-12-9-6-8-11(5-2)10(12)3;1-7(2)9-5-4-6-10(11-9)8(3)12;1-2/h6,8-9H,4-5,7H2,1-3H3;4-6H,1H2,2-3H3;1-2H3.
What are the key properties of ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone?
ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone has a molecular weight of 353.55 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-2-methyl-3-propylbenzene;1-(6-prop-1-en-2-yl-2-pyridinyl)ethanone is sourced from PubChem (CID 144649667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).