5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide

C30H32N2O3 — CID 3781030

IUPAC5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
SMILESCCCCc1c(-c2cccc(Oc3ccccc3)c2)c(C(N)=O)c(C)n1Cc1ccccc1OC
InChIInChI=1S/C30H32N2O3/c1-4-5-17-26-29(22-13-11-16-25(19-22)35-24-14-7-6-8-15-24)28(30(31)33)21(2)32(26)20-23-12-9-10-18-27(23)34-3/h6-16,18-19H,4-5,17,20H2,1-3H3,(H2,31,33)
InChIKeyJFMZJTIVZMCCJP-UHFFFAOYSA-N
MW468.60 g/mol
LogP6.75
Rot. Bonds10

About 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide

5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide (PubChem CID 3781030) has the molecular formula C30H32N2O3 and a molecular weight of 468.60 g/mol. Its IUPAC name is 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
PubChem CID3781030
Molecular FormulaC30H32N2O3
Molecular Weight468.60 g/mol
Exact Mass468.24
IUPAC Name5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
SMILESCCCCc1c(-c2cccc(Oc3ccccc3)c2)c(C(N)=O)c(C)n1Cc1ccccc1OC
InChIInChI=1S/C30H32N2O3/c1-4-5-17-26-29(22-13-11-16-25(19-22)35-24-14-7-6-8-15-24)28(30(31)33)21(2)32(26)20-23-12-9-10-18-27(23)34-3/h6-16,18-19H,4-5,17,20H2,1-3H3,(H2,31,33)
InChIKeyJFMZJTIVZMCCJP-UHFFFAOYSA-N
XLogP6.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3737651
5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3824561
4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3763798
1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3685628
1-benzyl-5-butyl-2-methyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 3481918
2-methyl-5-pentyl-4-(3-phenoxyphenyl)-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3814423
5-butyl-1-[2-(1H-imidazol-5-yl)ethyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
CID 3849110
4-(4-tert-butylphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-propylpyrrole-3-carboxamide
CID 3740985
1-[(2-methoxyphenyl)methyl]-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3741401
5-butyl-2-methyl-1-(pyridin-2-ylmethyl)-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 4989275
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1-benzyl-2-methyl-5-propyl-4-[3-(trifluoromethoxy)phenyl]pyrrole-3-carboxamide
CID 4988191

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide?
The IUPAC name of 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide (CID 3781030) is 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide is CCCCc1c(-c2cccc(Oc3ccccc3)c2)c(C(N)=O)c(C)n1Cc1ccccc1OC.
What is the InChIKey of 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide?
The InChIKey is JFMZJTIVZMCCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O3/c1-4-5-17-26-29(22-13-11-16-25(19-22)35-24-14-7-6-8-15-24)28(30(31)33)21(2)32(26)20-23-12-9-10-18-27(23)34-3/h6-16,18-19H,4-5,17,20H2,1-3H3,(H2,31,33).
What are the key properties of 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide?
5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 6.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3781030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).