ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate

C19H18N2O4 — CID 86612303

IUPACethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(NC(=O)OCc3ccccc3)c2[nH]1
InChIInChI=1S/C19H18N2O4/c1-2-24-18(22)16-11-14-9-6-10-15(17(14)20-16)21-19(23)25-12-13-7-4-3-5-8-13/h3-11,20H,2,12H2,1H3,(H,21,23)
InChIKeyGSGYHTSIKBDURQ-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.09
Rot. Bonds5

About ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate

ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate (PubChem CID 86612303) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate
PubChem CID86612303
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Nameethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(NC(=O)OCc3ccccc3)c2[nH]1
InChIInChI=1S/C19H18N2O4/c1-2-24-18(22)16-11-14-9-6-10-15(17(14)20-16)21-19(23)25-12-13-7-4-3-5-8-13/h3-11,20H,2,12H2,1H3,(H,21,23)
InChIKeyGSGYHTSIKBDURQ-UHFFFAOYSA-N
XLogP4.09
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 7-methyl-1H-indole-2-carboxylate
CID 1235155
ethyl 2,6-dimethyl-5-(phenylmethoxycarbonylamino)pyridine-3-carboxylate
CID 4860708
benzyl 2-(ethoxycarbonylamino)-6-ethylbenzoate
CID 70462844
ethyl 6-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-1H-indole-2-carboxylate
CID 171856940
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
benzyl N-(2-iodophenyl)carbamate
CID 10959121
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
benzyl N-[4-(1H-indole-2-carbonylamino)phenyl]carbamate
CID 15224337
ethyl 7-(4-fluorophenyl)-1H-indole-2-carboxylate
CID 142425833
ethyl 6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyran-3-carboxylate
CID 10596732
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055

Frequently Asked Questions

What is the IUPAC name of ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate?
The IUPAC name of ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate (CID 86612303) is ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate is CCOC(=O)c1cc2cccc(NC(=O)OCc3ccccc3)c2[nH]1.
What is the InChIKey of ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate?
The InChIKey is GSGYHTSIKBDURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-2-24-18(22)16-11-14-9-6-10-15(17(14)20-16)21-19(23)25-12-13-7-4-3-5-8-13/h3-11,20H,2,12H2,1H3,(H,21,23).
What are the key properties of ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate?
ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate has a molecular weight of 338.36 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-(phenylmethoxycarbonylamino)-1H-indole-2-carboxylate is sourced from PubChem (CID 86612303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).