1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one

C24H37NO — CID 170602995

IUPAC1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one
SMILESC=C(CC)N1CC(C)(C)C2=C1C=C(CC1CCC(C)CC1)C(=O)C2CC
InChIInChI=1S/C24H37NO/c1-7-17(4)25-15-24(5,6)22-20(8-2)23(26)19(14-21(22)25)13-18-11-9-16(3)10-12-18/h14,16,18,20H,4,7-13,15H2,1-3,5-6H3
InChIKeyCWOYZOSWHUSFFZ-UHFFFAOYSA-N
MW355.57 g/mol
LogP6.26
Rot. Bonds5

About 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one

1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one (PubChem CID 170602995) has the molecular formula C24H37NO and a molecular weight of 355.57 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one
PubChem CID170602995
Molecular FormulaC24H37NO
Molecular Weight355.57 g/mol
Exact Mass355.29
IUPAC Name1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one
SMILESC=C(CC)N1CC(C)(C)C2=C1C=C(CC1CCC(C)CC1)C(=O)C2CC
InChIInChI=1S/C24H37NO/c1-7-17(4)25-15-24(5,6)22-20(8-2)23(26)19(14-21(22)25)13-18-11-9-16(3)10-12-18/h14,16,18,20H,4,7-13,15H2,1-3,5-6H3
InChIKeyCWOYZOSWHUSFFZ-UHFFFAOYSA-N
XLogP6.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.57
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one 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

(Z)-1-[4-[3-[4-[[(3E,4Z)-4-butylidene-1-(4-fluorocyclohexa-1,3-dien-1-yl)-3-propylidenepiperidin-2-yl]methyl]cyclohexa-2,4-dien-1-yl]propyl]cyclohexyl]-4,4-dimethylpent-2-en-1-one
CID 142017497
1-[(4S)-6-fluoro-4-heptan-4-ylcyclohexa-1,5-dien-1-yl]-2,3-dimethyl-3-(1-methyl-2,6-dimethylidenepiperidin-3-yl)butan-1-one
CID 174244097
6-[(4-Fluorocyclohexyl)methyl]-3,3,4-trimethyl-1-propanoyl-2,4-dihydroindol-5-one
CID 170603599
(4aR,8aS,10aR)-3-isocyano-1,1,4a,8a-tetramethyl-6-pyrrolidin-1-yl-8,9,10,10a-tetrahydrophenanthren-2-one
CID 58802157
[6-(Cyclopropanecarbonyl)-9-[2-(diethylamino)ethyl]-3,4,4b,5-tetrahydrocarbazol-3-yl]-cyclopropylmethanone
CID 70900638
2-[1-Cyclohexa-1,3-dien-1-yl-3-[di(propan-2-yl)amino]propyl]-4-methylcyclohex-2-en-1-one
CID 90886620
6-[1-[Cyclohexyl(methyl)amino]ethenyl]-5-ethenyl-3-methylidene-3a,4-dihydroinden-1-one
CID 130435851
(8E,11Z)-6,8-dimethyl-7-methylidene-9-(3-methyl-2-methylidenebutyl)-11-prop-1-en-2-yl-6-azaspiro[3.9]trideca-8,11-dien-10-one
CID 134377340
3-But-1-en-2-yl-8-methylidene-9-(2,4,6-trimethylcyclohexa-1,3-dien-1-yl)-3-azaspiro[5.5]undecan-10-one
CID 139477976
2-Butyl-1-cyclohexa-1,4-dien-1-yl-5-[(5-iodo-2-methylcyclohexa-1,5-dien-1-yl)-propylamino]hex-5-en-1-one
CID 142019991
1-[4-tert-butyl-2-(4,4-dimethylcyclohexyl)-5-[1-(propylamino)ethyl]-2,5-dihydro-1H-cyclopenta[b]pyridin-6-yl]propan-1-one;2,3,6-trimethylhepta-1,6-diene
CID 142310743
(2E)-2-ethylidene-1-[(3S,5S)-4-[[(3E)-hepta-1,3-dien-4-yl]-propan-2-ylamino]-3,5-dimethylcyclohexen-1-yl]pentan-1-one
CID 163490391

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one?
The IUPAC name of 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one (CID 170602995) is 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one.
What is the SMILES notation for 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one?
The canonical SMILES for 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one is C=C(CC)N1CC(C)(C)C2=C1C=C(CC1CCC(C)CC1)C(=O)C2CC.
What is the InChIKey of 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one?
The InChIKey is CWOYZOSWHUSFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37NO/c1-7-17(4)25-15-24(5,6)22-20(8-2)23(26)19(14-21(22)25)13-18-11-9-16(3)10-12-18/h14,16,18,20H,4,7-13,15H2,1-3,5-6H3.
What are the key properties of 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one?
1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one has a molecular weight of 355.57 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-ethyl-3,3-dimethyl-6-[(4-methylcyclohexyl)methyl]-2,4-dihydroindol-5-one is sourced from PubChem (CID 170602995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).