ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate

C20H20N2O4 — CID 132502553

IUPACethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NCc2ccc(OC)cc2)c2ccccn12
InChIInChI=1S/C20H20N2O4/c1-3-26-20(24)18-12-16(17-6-4-5-11-22(17)18)19(23)21-13-14-7-9-15(25-2)10-8-14/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyQPMBBGZVDMHJEZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.05
Rot. Bonds6

About ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate

ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate (PubChem CID 132502553) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate
PubChem CID132502553
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Nameethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate
SMILESCCOC(=O)c1cc(C(=O)NCc2ccc(OC)cc2)c2ccccn12
InChIInChI=1S/C20H20N2O4/c1-3-26-20(24)18-12-16(17-6-4-5-11-22(17)18)19(23)21-13-14-7-9-15(25-2)10-8-14/h4-12H,3,13H2,1-2H3,(H,21,23)
InChIKeyQPMBBGZVDMHJEZ-UHFFFAOYSA-N
XLogP3.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
2-hydrazinyl-N-[(4-methoxyphenyl)methyl]-5-methylbenzamide
CID 62510796
3-(4-methoxybenzoyl)-N-phenylindolizine-1-carboxamide
CID 132502558
2-ethyl-N-[(4-methoxyphenyl)methyl]-9-methyl-1-oxopyrido[3,4-b]indole-4-carboxamide
CID 15996697
2-amino-N-[(4-ethylphenyl)methyl]-4-methoxybenzamide
CID 106899778
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
N-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 984704
2-acetamido-N-[(4-methoxyphenyl)methyl]benzamide
CID 3350357
2-hydroxy-5-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 11086863
N-[(4-methoxyphenyl)methyl]-4-oxo-1-pentylquinoline-3-carboxamide
CID 11639466

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate (CID 132502553) is ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate is CCOC(=O)c1cc(C(=O)NCc2ccc(OC)cc2)c2ccccn12.
What is the InChIKey of ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate?
The InChIKey is QPMBBGZVDMHJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-26-20(24)18-12-16(17-6-4-5-11-22(17)18)19(23)21-13-14-7-9-15(25-2)10-8-14/h4-12H,3,13H2,1-2H3,(H,21,23).
What are the key properties of ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate?
ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxyphenyl)methylcarbamoyl]indolizine-3-carboxylate is sourced from PubChem (CID 132502553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).