5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone

C32H43NO — CID 142217131

IUPAC5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone
SMILESCC(=O)c1c(C)cccc1CCC1CCCC(C)C1.CCC1=C(C)CC(c2ccc(C)cc2)=N1
InChIInChI=1S/C18H26O.C14H17N/c1-13-6-4-8-16(12-13)10-11-17-9-5-7-14(2)18(17)15(3)19;1-4-13-11(3)9-14(15-13)12-7-5-10(2)6-8-12/h5,7,9,13,16H,4,6,8,10-12H2,1-3H3;5-8H,4,9H2,1-3H3
InChIKeySARKYMVIVQDSAN-UHFFFAOYSA-N
MW457.70 g/mol
LogP8.83
Rot. Bonds6

About 5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone

5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone (PubChem CID 142217131) has the molecular formula C32H43NO and a molecular weight of 457.70 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone
PubChem CID142217131
Molecular FormulaC32H43NO
Molecular Weight457.70 g/mol
Exact Mass457.33
IUPAC Name5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone
SMILESCC(=O)c1c(C)cccc1CCC1CCCC(C)C1.CCC1=C(C)CC(c2ccc(C)cc2)=N1
InChIInChI=1S/C18H26O.C14H17N/c1-13-6-4-8-16(12-13)10-11-17-9-5-7-14(2)18(17)15(3)19;1-4-13-11(3)9-14(15-13)12-7-5-10(2)6-8-12/h5,7,9,13,16H,4,6,8,10-12H2,1-3H3;5-8H,4,9H2,1-3H3
InChIKeySARKYMVIVQDSAN-UHFFFAOYSA-N
XLogP8.83
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.70
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone
CID 2803521
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CID 118371839
1-[(2E,13Z)-3-cyclohexyl-19-(2,5-dimethyl-3H-pyrrol-4-yl)-2-methyl-7-tetracyclo[13.9.0.04,9.016,22]tetracosa-1(15),2,4(9),5,7,13,16(22),17,19,23-decaenyl]ethanone;formaldehyde;methanol;1,1,1-trifluoropropane
CID 143615898
1-[2-[3-[(Z)-but-2-en-2-yl]-4-methylphenyl]-5-methyl-3H-pyrrol-4-yl]butan-1-one;1,1,1-trifluoro-4-methylpentane
CID 144039534
6-[3,4-Bis(ethenyl)phenyl]-1-[3-(1,1-difluoroethyl)phenyl]-4,4-dimethyl-6-methyliminohexan-1-one;ethane
CID 144504125
2-[3-[(3E)-2,4-dimethylhexa-1,3-dien-3-yl]-4-[(2-fluoro-5-methylphenyl)methyl]phenyl]-3,5-dimethyl-3H-pyrrole-4-carbonyl cyanide
CID 145010275
1-[4-[4-[[3-[4-(2,2-difluoroethyl)phenyl]-3aH-indol-7-yl]methyl]-2-methylbenzoyl]cyclohexyl]-2-methylheptan-1-one
CID 153612238
8-[2-(1,1-Difluoroethyl)-6-propan-2-ylphenyl]-3-imino-4-methylidene-1-(2,4,5-trimethylphenyl)octan-1-one
CID 177342765
(2E)-2-hydrazinylidene-1-(2,3,4,5,6-pentamethylphenyl)-2-phenylethanone
CID 9583327
[2-[(Z)-N-isocyanato-C-(2,4,6-trimethylphenyl)carbonimidoyl]phenyl]-(2,4,6-trimethylphenyl)methanone
CID 12772107
3-Butyl-4h-anthra[9,1-cd]-1,2-diazepin-8-one
CID 14925765
3-Butyryl-4h-anthra[9,1-cd]-1,2-diazepin-8-one
CID 15880961

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone?
The IUPAC name of 5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone (CID 142217131) is 5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone.
What is the SMILES notation for 5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone?
The canonical SMILES for 5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone is CC(=O)c1c(C)cccc1CCC1CCCC(C)C1.CCC1=C(C)CC(c2ccc(C)cc2)=N1.
What is the InChIKey of 5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone?
The InChIKey is SARKYMVIVQDSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O.C14H17N/c1-13-6-4-8-16(12-13)10-11-17-9-5-7-14(2)18(17)15(3)19;1-4-13-11(3)9-14(15-13)12-7-5-10(2)6-8-12/h5,7,9,13,16H,4,6,8,10-12H2,1-3H3;5-8H,4,9H2,1-3H3.
What are the key properties of 5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone?
5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone has a molecular weight of 457.70 g/mol, XLogP of 8.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-(4-methylphenyl)-3H-pyrrole;1-[2-methyl-6-[2-(3-methylcyclohexyl)ethyl]phenyl]ethanone is sourced from PubChem (CID 142217131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).