ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate

C18H18N2O3 — CID 17463850

IUPACethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-2-23-18(22)19-15-9-7-14(8-10-15)17(21)20-12-11-13-5-3-4-6-16(13)20/h3-10H,2,11-12H2,1H3,(H,19,22)
InChIKeyCZTVZXNHXNCTMX-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.46
Rot. Bonds3

About ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate

ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate (PubChem CID 17463850) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
PubChem CID17463850
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Nameethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C18H18N2O3/c1-2-23-18(22)19-15-9-7-14(8-10-15)17(21)20-12-11-13-5-3-4-6-16(13)20/h3-10H,2,11-12H2,1H3,(H,19,22)
InChIKeyCZTVZXNHXNCTMX-UHFFFAOYSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 27659678
2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3-methylpentanamide;hydrochloride
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N-(4-acetamidophenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
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ethyl 4-(2,3-dihydroindole-1-carbothioylamino)benzoate
CID 3516952
2-tert-butylsulfanyl-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]acetamide
CID 60608468
(2S)-2-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-3,3-dimethylbutanamide
CID 119761273
7-amino-N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]heptanamide
CID 119761257
N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]-4-(methylamino)butanamide
CID 119761261
4-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)benzamide
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ethyl 2-[(1-benzoyl-2,3-dihydroindol-5-yl)amino]-2-oxoacetate
CID 112506147
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
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CID 112532221

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate?
The IUPAC name of ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate (CID 17463850) is ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate?
The canonical SMILES for ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate is CCOC(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate?
The InChIKey is CZTVZXNHXNCTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-23-18(22)19-15-9-7-14(8-10-15)17(21)20-12-11-13-5-3-4-6-16(13)20/h3-10H,2,11-12H2,1H3,(H,19,22).
What are the key properties of ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate?
ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate has a molecular weight of 310.35 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(2,3-dihydroindole-1-carbonyl)phenyl]carbamate is sourced from PubChem (CID 17463850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).