ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate

C15H18N2O4 — CID 102712457

IUPACethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C15H18N2O4/c1-2-21-14(19)4-3-7-16-15(20)11-6-5-10-9-13(18)17-12(10)8-11/h5-6,8H,2-4,7,9H2,1H3,(H,16,20)(H,17,18)
InChIKeyPDDPECYNNCDDII-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.25
Rot. Bonds6

About ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate

ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate (PubChem CID 102712457) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate
PubChem CID102712457
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate
SMILESCCOC(=O)CCCNC(=O)c1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C15H18N2O4/c1-2-21-14(19)4-3-7-16-15(20)11-6-5-10-9-13(18)17-12(10)8-11/h5-6,8H,2-4,7,9H2,1H3,(H,16,20)(H,17,18)
InChIKeyPDDPECYNNCDDII-UHFFFAOYSA-N
XLogP1.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102711852
2-oxo-N-(3-propan-2-yloxypropyl)-1,3-dihydroindole-6-carboxamide
CID 102712158
ethyl 4-(2,3-dihydro-1H-isoindole-5-carbonylamino)butanoate
CID 103999025
ethyl 4-[(3,4-dimethylbenzoyl)amino]butanoate
CID 60637398
ethyl 4-[(4-carbamoylbenzoyl)amino]butanoate
CID 37260222
N-(3-cyclopentylpropyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737359
N-[(1-ethylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737434
N-[(1-methylcyclopropyl)methyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737430
N-hexyl-2-oxo-1,3-dihydroindole-5-carboxamide
CID 108784631
N-[2-(cyclopropylmethoxy)ethyl]-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102737388
N-(2-cyclopentyloxyethyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712402
N-[3-(methylamino)propyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 69247393

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate?
The IUPAC name of ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate (CID 102712457) is ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate is CCOC(=O)CCCNC(=O)c1ccc2c(c1)NC(=O)C2.
What is the InChIKey of ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate?
The InChIKey is PDDPECYNNCDDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-21-14(19)4-3-7-16-15(20)11-6-5-10-9-13(18)17-12(10)8-11/h5-6,8H,2-4,7,9H2,1H3,(H,16,20)(H,17,18).
What are the key properties of ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate?
ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate has a molecular weight of 290.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-oxo-1,3-dihydroindole-6-carbonyl)amino]butanoate is sourced from PubChem (CID 102712457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).