methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate

C14H16N2O5 — CID 664557

IUPACmethyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)Nc1c(C(=O)OC)[nH]c2cccc(OC)c12
InChIInChI=1S/C14H16N2O5/c1-4-21-14(18)16-11-10-8(6-5-7-9(10)19-2)15-12(11)13(17)20-3/h5-7,15H,4H2,1-3H3,(H,16,18)
InChIKeyNTZRBDXAUFMSRZ-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.53
Rot. Bonds4

About methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate

methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate (PubChem CID 664557) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate
PubChem CID664557
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Namemethyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate
SMILESCCOC(=O)Nc1c(C(=O)OC)[nH]c2cccc(OC)c12
InChIInChI=1S/C14H16N2O5/c1-4-21-14(18)16-11-10-8(6-5-7-9(10)19-2)15-12(11)13(17)20-3/h5-7,15H,4H2,1-3H3,(H,16,18)
InChIKeyNTZRBDXAUFMSRZ-UHFFFAOYSA-N
XLogP2.53
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate (CID 664557) is methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate is CCOC(=O)Nc1c(C(=O)OC)[nH]c2cccc(OC)c12.
What is the InChIKey of methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate?
The InChIKey is NTZRBDXAUFMSRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-4-21-14(18)16-11-10-8(6-5-7-9(10)19-2)15-12(11)13(17)20-3/h5-7,15H,4H2,1-3H3,(H,16,18).
What are the key properties of methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate?
methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(ethoxycarbonylamino)-4-methoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 664557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).