1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone

C24H26N2O2 — CID 159579442

IUPAC1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone
SMILESC/C(=N\CC(=O)C1CC1)c1c(O)n(-c2cc(C)cc(C)c2)c2cc(C)ccc12
InChIInChI=1S/C24H26N2O2/c1-14-5-8-20-21(12-14)26(19-10-15(2)9-16(3)11-19)24(28)23(20)17(4)25-13-22(27)18-6-7-18/h5,8-12,18,28H,6-7,13H2,1-4H3/b25-17+
InChIKeyKCSBQQKMEXNIIC-KOEQRZSOSA-N
MW374.48 g/mol
LogP5.05
Rot. Bonds5

About 1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone

1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone (PubChem CID 159579442) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone.

Molecular Properties

Compound Name1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone
PubChem CID159579442
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone
SMILESC/C(=N\CC(=O)C1CC1)c1c(O)n(-c2cc(C)cc(C)c2)c2cc(C)ccc12
InChIInChI=1S/C24H26N2O2/c1-14-5-8-20-21(12-14)26(19-10-15(2)9-16(3)11-19)24(28)23(20)17(4)25-13-22(27)18-6-7-18/h5,8-12,18,28H,6-7,13H2,1-4H3/b25-17+
InChIKeyKCSBQQKMEXNIIC-KOEQRZSOSA-N
XLogP5.05
TPSA54.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone?
The IUPAC name of 1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone (CID 159579442) is 1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone.
What is the SMILES notation for 1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone?
The canonical SMILES for 1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone is C/C(=N\CC(=O)C1CC1)c1c(O)n(-c2cc(C)cc(C)c2)c2cc(C)ccc12.
What is the InChIKey of 1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone?
The InChIKey is KCSBQQKMEXNIIC-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-14-5-8-20-21(12-14)26(19-10-15(2)9-16(3)11-19)24(28)23(20)17(4)25-13-22(27)18-6-7-18/h5,8-12,18,28H,6-7,13H2,1-4H3/b25-17+.
What are the key properties of 1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone?
1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone has a molecular weight of 374.48 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[1-[1-(3,5-dimethylphenyl)-2-hydroxy-6-methylindol-3-yl]ethylideneamino]ethanone is sourced from PubChem (CID 159579442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).