ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate

C15H18N2O5 — CID 6615701

IUPACethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)Nc1c(C(=O)OCC)[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H18N2O5/c1-4-21-14(18)13-12(17-15(19)22-5-2)10-8-9(20-3)6-7-11(10)16-13/h6-8,16H,4-5H2,1-3H3,(H,17,19)
InChIKeyFARPFUXFDJNMFI-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.92
Rot. Bonds5

About ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate

ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate (PubChem CID 6615701) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
PubChem CID6615701
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Nameethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)Nc1c(C(=O)OCC)[nH]c2ccc(OC)cc12
InChIInChI=1S/C15H18N2O5/c1-4-21-14(18)13-12(17-15(19)22-5-2)10-8-9(20-3)6-7-11(10)16-13/h6-8,16H,4-5H2,1-3H3,(H,17,19)
InChIKeyFARPFUXFDJNMFI-UHFFFAOYSA-N
XLogP2.92
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-ethoxycarbonyl-5-methoxy-1H-indol-3-yl)amino]-2-oxoethyl]-diethylazanium
CID 6944330
ethyl 3-[(2-hydroxy-2,2-diphenylacetyl)amino]-5-methoxy-1H-indole-2-carboxylate
CID 3731101
ethyl 3-[[2-[2,2-dimethoxyethyl(methyl)amino]acetyl]amino]-5-methoxy-1H-indole-2-carboxylate
CID 4207566
ethyl 3-[3-(3,5-dimethylpiperidin-1-yl)propanoylamino]-5-methoxy-1H-indole-2-carboxylate
CID 3784517
ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
CID 10590673
ethyl 3-[[(5R,7R)-3-bromoadamantane-1-carbonyl]amino]-5-methoxy-1H-indole-2-carboxylate
CID 98161860
ethyl 5-methoxy-3-[3-(4-phenylpiperazin-1-yl)propanoylamino]-1H-indole-2-carboxylate
CID 3799403
ethyl 3-isothiocyanato-5-methoxy-1H-indole-2-carboxylate
CID 53337739
ethyl 5-methoxy-3-nitro-1H-indole-2-carboxylate
CID 141442402
ethyl 3-[(dimethylamino)methyl]-5-methoxy-1H-indole-2-carboxylate
CID 907671
ethyl 3-[[2-(3,3-dimethylpiperidin-1-ium-1-yl)acetyl]amino]-5-methoxy-1H-indole-2-carboxylate chloride
CID 44657253
ethyl 5-methoxy-3-[[2-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-2-ium-2-yl)acetyl]amino]-1H-indole-2-carboxylate
CID 6985611

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate (CID 6615701) is ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate is CCOC(=O)Nc1c(C(=O)OCC)[nH]c2ccc(OC)cc12.
What is the InChIKey of ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate?
The InChIKey is FARPFUXFDJNMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-4-21-14(18)13-12(17-15(19)22-5-2)10-8-9(20-3)6-7-11(10)16-13/h6-8,16H,4-5H2,1-3H3,(H,17,19).
What are the key properties of ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate?
ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate has a molecular weight of 306.32 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(ethoxycarbonylamino)-5-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 6615701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).