ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate

C32H35NO4 — CID 58305182

IUPACethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)n1Cc1ccc(OC)cc1
InChIInChI=1S/C32H35NO4/c1-6-36-32(34)30-17-16-29(33(30)20-24-12-14-26(35-5)15-13-24)28-19-27(22(2)3)23(4)18-31(28)37-21-25-10-8-7-9-11-25/h7-19,22H,6,20-21H2,1-5H3
InChIKeyKNQWFMVIUNLDBW-UHFFFAOYSA-N
MW497.64 g/mol
LogP7.40
Rot. Bonds10

About ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate

ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate (PubChem CID 58305182) has the molecular formula C32H35NO4 and a molecular weight of 497.64 g/mol. Its IUPAC name is ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate
PubChem CID58305182
Molecular FormulaC32H35NO4
Molecular Weight497.64 g/mol
Exact Mass497.26
IUPAC Nameethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)n1Cc1ccc(OC)cc1
InChIInChI=1S/C32H35NO4/c1-6-36-32(34)30-17-16-29(33(30)20-24-12-14-26(35-5)15-13-24)28-19-27(22(2)3)23(4)18-31(28)37-21-25-10-8-7-9-11-25/h7-19,22H,6,20-21H2,1-5H3
InChIKeyKNQWFMVIUNLDBW-UHFFFAOYSA-N
XLogP7.40
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 57.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-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

Related Compounds

N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide
CID 58305193
5-(2,4-dihydroxy-5-propan-2-ylphenyl)-N-ethyl-1-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide;ethane;ethyl 5-bromo-1-[(4-methoxyphenyl)methyl]pyrrole-2-carboxylate;N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide;ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate;(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)boronic acid
CID 158949218
ethyl 1-benzyl-5-(1-methylindol-3-yl)pyrrole-2-carboxylate
CID 102434677
diethyl 1-[(4-methoxyphenyl)methyl]-4-(4-phenylmethoxyphenyl)-4H-pyridine-3,5-dicarboxylate
CID 17371390
ethyl 1-benzyl-5-phenyl-2-propan-2-ylpyrrole-3-carboxylate
CID 11198830
ethyl 2-cyano-2-(4-methoxy-2-phenylmethoxyphenyl)acetate
CID 138968204
benzyl 2-(2-ethoxy-2-oxoethyl)-5-(4-methoxyphenyl)-3-propan-2-ylpyrrole-1-carboxylate
CID 101402613
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 2-bromo-5-[(4-methoxyphenyl)methoxy]-4-methylbenzoate
CID 58334561
ethyl 7-bromo-1-[(4-methoxyphenyl)methyl]indole-2-carboxylate
CID 178180601
ethyl 1-methyl-3-(2-phenylmethoxyphenyl)pyrazole-5-carboxylate
CID 169144581
N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 134166507

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate (CID 58305182) is ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate is CCOC(=O)c1ccc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)n1Cc1ccc(OC)cc1.
What is the InChIKey of ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate?
The InChIKey is KNQWFMVIUNLDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO4/c1-6-36-32(34)30-17-16-29(33(30)20-24-12-14-26(35-5)15-13-24)28-19-27(22(2)3)23(4)18-31(28)37-21-25-10-8-7-9-11-25/h7-19,22H,6,20-21H2,1-5H3.
What are the key properties of ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate?
ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate has a molecular weight of 497.64 g/mol, XLogP of 7.40, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate is sourced from PubChem (CID 58305182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).