ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate

C19H18N2O3 — CID 100981715

IUPACethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)17-16(14-11-12(2)9-10-15(14)20-17)21-18(22)13-7-5-4-6-8-13/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeyLSVOJRHKXFAAFB-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.91
Rot. Bonds4

About ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate

ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate (PubChem CID 100981715) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
PubChem CID100981715
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)17-16(14-11-12(2)9-10-15(14)20-17)21-18(22)13-7-5-4-6-8-13/h4-11,20H,3H2,1-2H3,(H,21,22)
InChIKeyLSVOJRHKXFAAFB-UHFFFAOYSA-N
XLogP3.91
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-benzamido-5-nitro-1H-indole-2-carboxylate
CID 11783152
[2-[(2-ethoxycarbonyl-5-methyl-1H-indol-3-yl)amino]-2-oxoethyl]-dimethylazanium
CID 3714986
methyl 3-[(3-methoxybenzoyl)amino]-5-methyl-1H-indole-2-carboxylate
CID 946980
ethyl 3-[(4-nitrobenzoyl)amino]-1H-indole-2-carboxylate
CID 4179988
ethyl 5-methyl-3-[(2-piperidin-1-ium-1-ylacetyl)amino]-1H-indole-2-carboxylate
CID 6944323
3-[(4-fluorobenzoyl)amino]-N,5-dimethyl-1H-indole-2-carboxamide
CID 53367407
ethyl 3,6-dimethyl-4-oxo-1H-quinoline-2-carboxylate
CID 19603453
N-(3-methoxypropyl)-5-methyl-3-[(4-methylbenzoyl)amino]-1H-indole-2-carboxamide
CID 46391803
3-[(4-chlorobenzoyl)amino]-5-methyl-N-propyl-1H-indole-2-carboxamide
CID 50834469
ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate
CID 3731101
ethyl 5-methyl-3-[[2-(1,3-thiazol-2-ylamino)acetyl]amino]-1H-indole-2-carboxylate
CID 1388374
ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
CID 6615701

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate (CID 100981715) is ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccccc1.
What is the InChIKey of ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate?
The InChIKey is LSVOJRHKXFAAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(23)17-16(14-11-12(2)9-10-15(14)20-17)21-18(22)13-7-5-4-6-8-13/h4-11,20H,3H2,1-2H3,(H,21,22).
What are the key properties of ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate?
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate is sourced from PubChem (CID 100981715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).