ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate

C20H23NO3 — CID 162425697

IUPACethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(n1Cc1ccc(C)cc1C)C(=O)CCC2
InChIInChI=1S/C20H23NO3/c1-4-24-20(23)17-11-15-6-5-7-18(22)19(15)21(17)12-16-9-8-13(2)10-14(16)3/h8-11H,4-7,12H2,1-3H3
InChIKeyDNURYYCSLAVDLK-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.85
Rot. Bonds4

About ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate

ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate (PubChem CID 162425697) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate
PubChem CID162425697
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2c(n1Cc1ccc(C)cc1C)C(=O)CCC2
InChIInChI=1S/C20H23NO3/c1-4-24-20(23)17-11-15-6-5-7-18(22)19(15)21(17)12-16-9-8-13(2)10-14(16)3/h8-11H,4-7,12H2,1-3H3
InChIKeyDNURYYCSLAVDLK-UHFFFAOYSA-N
XLogP3.85
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-methyl-8-oxo-4,5,6,7-tetrahydrocyclohepta[b]pyrrole-2-carboxylate
CID 122705237
ethyl 6-(dimethylaminomethylidene)-1-[(2-methylphenyl)methyl]-7-oxo-4,5-dihydroindole-2-carboxylate
CID 162425709
ethyl 1-benzyl-7-(hydroxymethylidene)-8-oxo-5,6-dihydro-4H-cyclohepta[b]pyrrole-2-carboxylate
CID 145189628
2-hydroxyethyl 1-[(4-methylphenyl)methyl]-4-oxo-6,7-dihydro-5H-indole-2-carboxylate
CID 139547915
ethyl 6-bromo-1-[(2,4-dimethylphenyl)methyl]-4-oxoquinoline-3-carboxylate
CID 94674276
ethyl 1-[(2,4-dimethylphenyl)methyl]-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate;ethyl 1-[(4-methylphenyl)methyl]-7-(4-methylphenyl)sulfonyl-8-oxo-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate;methyl 1-[(2-methylphenyl)methyl]-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate;propan-2-yl 1-[(4-methylphenyl)methyl]-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate;tris(sulfur dioxide)
CID 163451088
1-(cyclopropylmethyl)-7-oxo-5,6-dihydro-4H-indole-2-carboxylic acid
CID 162425690
ethyl (7E)-7-[(4-chlorophenyl)hydrazinylidene]-1-[(4-methoxyphenyl)methyl]-5,6-dihydro-4H-indole-2-carboxylate
CID 24799321
ethyl 1-benzyl-8-oxo-7-phenyl-5,9-dihydro-4H-pyrrolo[3,2-h]quinoline-2-carboxylate
CID 162425649
ethyl 1-(4-methylphenyl)-2,5-dioxo-7,8-dihydro-6H-quinoline-4-carboxylate
CID 102367438
1-[2-(2,4-dimethylphenyl)ethyl]piperidine-2,6-dione
CID 82130524
ethyl 2,3-dihydro-1H-indene-4-carboxylate
CID 10888742

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate?
The IUPAC name of ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate (CID 162425697) is ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate?
The canonical SMILES for ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate is CCOC(=O)c1cc2c(n1Cc1ccc(C)cc1C)C(=O)CCC2.
What is the InChIKey of ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate?
The InChIKey is DNURYYCSLAVDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-24-20(23)17-11-15-6-5-7-18(22)19(15)21(17)12-16-9-8-13(2)10-14(16)3/h8-11H,4-7,12H2,1-3H3.
What are the key properties of ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate?
ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2,4-dimethylphenyl)methyl]-7-oxo-5,6-dihydro-4H-indole-2-carboxylate is sourced from PubChem (CID 162425697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).