ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate

C19H18N2O4 — CID 112506147

IUPACethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-2-25-19(24)17(22)20-15-8-9-16-14(12-15)10-11-21(16)18(23)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,20,22)
InChIKeyZFRZHJBGSZGCCI-UHFFFAOYSA-N
MW338.36 g/mol
LogP2.39
Rot. Bonds3

About ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate

ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate (PubChem CID 112506147) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate
PubChem CID112506147
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O4/c1-2-25-19(24)17(22)20-15-8-9-16-14(12-15)10-11-21(16)18(23)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,20,22)
InChIKeyZFRZHJBGSZGCCI-UHFFFAOYSA-N
XLogP2.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-oxo-2-[[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]amino]acetate
CID 112506255
N-(1-benzoyl-2,3-dihydroindol-5-yl)-2-phenoxyacetamide
CID 112506133
methyl N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)carbamate
CID 16834631
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)butanamide
CID 939823
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
CID 17463850
N-(1-benzoyl-2,3-dihydroindol-5-yl)-2-ethyl-4-fluorobenzamide
CID 175211818
ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
CID 112506230
N-(1-benzoyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 3541809
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
1-(1-benzoyl-2,3-dihydroindol-6-yl)-3-phenylurea
CID 46384404
N-(1-benzoyl-2,3-dihydroindol-5-yl)-4-methylbenzenesulfonamide
CID 112506160
ethyl (3S)-3-[[1-(4-methylbenzoyl)-2,3-dihydroindol-6-yl]carbamoylamino]-3-phenylpropanoate
CID 92882087

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate (CID 112506147) is ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc2c(c1)CCN2C(=O)c1ccccc1.
What is the InChIKey of ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate?
The InChIKey is ZFRZHJBGSZGCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-25-19(24)17(22)20-15-8-9-16-14(12-15)10-11-21(16)18(23)13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H,20,22).
What are the key properties of ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate?
ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate has a molecular weight of 338.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate is sourced from PubChem (CID 112506147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).