ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate

C16H18N2O4 — CID 112506230

IUPACethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2
InChIInChI=1S/C16H18N2O4/c1-2-22-16(21)14(19)17-12-6-5-10-7-8-18(13(10)9-12)15(20)11-3-4-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyPKWJEKDQEYIDNG-UHFFFAOYSA-N
MW302.33 g/mol
LogP1.49
Rot. Bonds3

About ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate

ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate (PubChem CID 112506230) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
PubChem CID112506230
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nameethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate
SMILESCCOC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2
InChIInChI=1S/C16H18N2O4/c1-2-22-16(21)14(19)17-12-6-5-10-7-8-18(13(10)9-12)15(20)11-3-4-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,19)
InChIKeyPKWJEKDQEYIDNG-UHFFFAOYSA-N
XLogP1.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.49
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
3-acetamido-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]propanamide
CID 110353642
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-N'-(3-methylphenyl)oxamide
CID 7586652
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-3-(3-methylbutyl)urea
CID 110303954
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-4-(4-methoxyphenyl)-4-oxobutanamide
CID 110623518
ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate
CID 112506147
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]-2-phenylcyclopropane-1-carboxamide
CID 110623537
trans-(1S,3S)-3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 95391466
3-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56762116
(2R)-2-amino-N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-methylpentanamide
CID 124646368
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-2-(4-methoxyphenyl)acetamide
CID 7586180
N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)cyclopropanecarboxamide
CID 40829046

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate?
The IUPAC name of ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate (CID 112506230) is ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate is CCOC(=O)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2.
What is the InChIKey of ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate?
The InChIKey is PKWJEKDQEYIDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-2-22-16(21)14(19)17-12-6-5-10-7-8-18(13(10)9-12)15(20)11-3-4-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,19).
What are the key properties of ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate?
ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate has a molecular weight of 302.33 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-6-yl]amino]-2-oxoacetate is sourced from PubChem (CID 112506230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).