ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate

C19H18N2O3 — CID 31853659

IUPACethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)N(C)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)17-12-14-11-13(9-10-16(14)20-17)18(22)21(2)15-7-5-4-6-8-15/h4-12,20H,3H2,1-2H3
InChIKeyGOACKFPKPSESGR-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.62
Rot. Bonds4

About ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate

ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate (PubChem CID 31853659) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate
PubChem CID31853659
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)N(C)c3ccccc3)ccc2[nH]1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)17-12-14-11-13(9-10-16(14)20-17)18(22)21(2)15-7-5-4-6-8-15/h4-12,20H,3H2,1-2H3
InChIKeyGOACKFPKPSESGR-UHFFFAOYSA-N
XLogP3.62
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
ethyl 5-(3-methylbutanoyl)-1H-indole-2-carboxylate
CID 68719600
ethyl 5-[(dimethylamino)methyl]-1H-indole-2-carboxylate
CID 146012562
ethyl 5-tert-butyl-1H-indole-2-carboxylate
CID 4714960
ethyl 5-[bis(trifluoromethylsulfonyl)amino]-1H-indole-2-carboxylate
CID 18185333
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
N-methyl-2-oxo-N-phenyl-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692356
ethyl 5-[[4-[(2-ethoxycarbonyl-1H-indol-5-yl)amino]-4-oxobutanoyl]amino]-1H-indole-2-carboxylate
CID 71513334
ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
ethyl 5-[1-(1-benzylpyrrolidin-3-yl)ethenyl]-1H-indole-2-carboxylate
CID 90097682
ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate
CID 68680571
ethyl 5-[[(2R)-1-methoxypropan-2-yl]carbamoyl]-1H-indole-2-carboxylate
CID 35439173

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate (CID 31853659) is ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate is CCOC(=O)c1cc2cc(C(=O)N(C)c3ccccc3)ccc2[nH]1.
What is the InChIKey of ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate?
The InChIKey is GOACKFPKPSESGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(23)17-12-14-11-13(9-10-16(14)20-17)18(22)21(2)15-7-5-4-6-8-15/h4-12,20H,3H2,1-2H3.
What are the key properties of ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate?
ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[methyl(phenyl)carbamoyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 31853659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).