ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate

C20H20N2O4 — CID 2157344

IUPACethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C20H20N2O4/c1-3-25-20(24)18-17(15-11-7-8-12-16(15)21-18)22-19(23)13(2)26-14-9-5-4-6-10-14/h4-13,21H,3H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeySDESLOUZMLZPDU-ZDUSSCGKSA-N
MW352.39 g/mol
LogP3.75
Rot. Bonds6

About ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate

ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate (PubChem CID 2157344) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate
PubChem CID2157344
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)Oc1ccccc1
InChIInChI=1S/C20H20N2O4/c1-3-25-20(24)18-17(15-11-7-8-12-16(15)21-18)22-19(23)13(2)26-14-9-5-4-6-10-14/h4-13,21H,3H2,1-2H3,(H,22,23)/t13-/m0/s1
InChIKeySDESLOUZMLZPDU-ZDUSSCGKSA-N
XLogP3.75
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
ethyl 3-benzamido-5-methyl-1H-indole-2-carboxylate
CID 100981715
2-phenoxy-N-(5H-[1,2,4]triazino[5,6-b]indol-3-yl)propanamide
CID 6416691
ethyl 3-[(2,5-dimethoxyphenyl)carbamothioylamino]-1H-indole-2-carboxylate
CID 2157265
ethyl 4-[[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]amino]benzoate
CID 8791486
N-naphthalen-1-yl-2-phenoxypropanamide
CID 2794096
(2S)-N-[2,6-di(propan-2-yl)phenyl]-2-phenoxypropanamide
CID 8779154
ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate
CID 3731101
ethyl 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate
CID 3839135
ethyl 2,5-dimethyl-4-[2-[(2R)-2-phenoxypropanoyl]oxyacetyl]-1H-pyrrole-3-carboxylate
CID 7833454
ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
CID 6615701
N'-(2-ethoxyacetyl)-2-phenoxypropanehydrazide
CID 17140894

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate (CID 2157344) is ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1NC(=O)[C@H](C)Oc1ccccc1.
What is the InChIKey of ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate?
The InChIKey is SDESLOUZMLZPDU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-25-20(24)18-17(15-11-7-8-12-16(15)21-18)22-19(23)13(2)26-14-9-5-4-6-10-14/h4-13,21H,3H2,1-2H3,(H,22,23)/t13-/m0/s1.
What are the key properties of ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate?
ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2S)-2-phenoxypropanoyl]amino]-1H-indole-2-carboxylate is sourced from PubChem (CID 2157344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).