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

C32H36N2O3 — CID 58305193

IUPACN-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)n1Cc1ccc(OC)cc1
InChIInChI=1S/C32H36N2O3/c1-6-33-32(35)30-17-16-29(34(30)20-24-12-14-26(36-5)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,(H,33,35)
InChIKeyROVUVQIZMQTSNL-UHFFFAOYSA-N
MW496.65 g/mol
LogP6.97
Rot. Bonds10

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

N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide (PubChem CID 58305193) has the molecular formula C32H36N2O3 and a molecular weight of 496.65 g/mol. Its IUPAC name is N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide
PubChem CID58305193
Molecular FormulaC32H36N2O3
Molecular Weight496.65 g/mol
Exact Mass496.27
IUPAC NameN-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide
SMILESCCNC(=O)c1ccc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)n1Cc1ccc(OC)cc1
InChIInChI=1S/C32H36N2O3/c1-6-33-32(35)30-17-16-29(34(30)20-24-12-14-26(36-5)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,(H,33,35)
InChIKeyROVUVQIZMQTSNL-UHFFFAOYSA-N
XLogP6.97
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.65
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxylate
CID 58305182
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
N-ethyl-4-iodo-3-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
CID 134166507
3-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-methyl-1,2-oxazole-5-carboxamide;ethane
CID 145125230
N-ethyl-2-[4-[[2-(4-methoxyphenyl)-3-methyl-5-phenylmethoxyindol-1-yl]methyl]phenyl]acetamide
CID 139336695
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-[5-(oxiran-2-yl)-1,2,4-oxadiazol-3-yl]-1,2-oxazole-3-carboxamide
CID 87376641
N-benzyl-4-[(4-methoxyphenyl)methyl]-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 42848733
N-ethyl-5-[4-methyl-5-(2-methylpropyl)-2-phenylmethoxyphenyl]-1,2-oxazole-3-carboxamide
CID 70800264
5-[2,4-bis(phenylmethoxy)-5-propan-2-ylphenyl]-N-ethyl-4-(2-ethyltetrazol-5-yl)-1,2-oxazole-3-carboxamide
CID 67374989
N-ethyl-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)-4-(5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-1,2-oxazole-3-carboxamide
CID 134166486
5-[5-chloro-2,4-bis(phenylmethoxy)phenyl]-N-ethyl-4-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 24774440
4-benzyl-N-ethyl-2-methylthieno[3,2-b]pyrrole-5-carboxamide
CID 46039431

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide?
The IUPAC name of N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide (CID 58305193) is N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide?
The canonical SMILES for N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide is CCNC(=O)c1ccc(-c2cc(C(C)C)c(C)cc2OCc2ccccc2)n1Cc1ccc(OC)cc1.
What is the InChIKey of N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide?
The InChIKey is ROVUVQIZMQTSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N2O3/c1-6-33-32(35)30-17-16-29(34(30)20-24-12-14-26(36-5)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,(H,33,35).
What are the key properties of N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide?
N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide has a molecular weight of 496.65 g/mol, XLogP of 6.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(4-methoxyphenyl)methyl]-5-(4-methyl-2-phenylmethoxy-5-propan-2-ylphenyl)pyrrole-2-carboxamide is sourced from PubChem (CID 58305193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).