4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide

C25H30N2O3 — CID 3737651

IUPAC4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1Cc1ccccc1OC
InChIInChI=1S/C25H30N2O3/c1-4-5-6-13-21-24(18-11-9-12-20(28)15-18)23(25(26)29)17(2)27(21)16-19-10-7-8-14-22(19)30-3/h7-12,14-15,28H,4-6,13,16H2,1-3H3,(H2,26,29)
InChIKeyFIUSWBHTBGICFW-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.06
Rot. Bonds9

About 4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide

4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide (PubChem CID 3737651) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
PubChem CID3737651
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1Cc1ccccc1OC
InChIInChI=1S/C25H30N2O3/c1-4-5-6-13-21-24(18-11-9-12-20(28)15-18)23(25(26)29)17(2)27(21)16-19-10-7-8-14-22(19)30-3/h7-12,14-15,28H,4-6,13,16H2,1-3H3,(H2,26,29)
InChIKeyFIUSWBHTBGICFW-UHFFFAOYSA-N
XLogP5.06
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-butyl-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
CID 3781030
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
5-butyl-4-(4-cyanophenyl)-1-[(2-methoxyphenyl)methyl]-2-methylpyrrole-3-carboxamide
CID 3824561
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
4-(3-hydroxyphenyl)-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3480119
4-(3-hydroxyphenyl)-2-methyl-5-propyl-1-(pyridin-2-ylmethyl)pyrrole-3-carboxamide
CID 4987970
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
1-[(3-chlorophenyl)methyl]-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3702538
4-(3-fluorophenyl)-2-methyl-5-pentyl-1-propylpyrrole-3-carboxamide
CID 3697404
1-[2-(4-hydroxyphenyl)ethyl]-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3842962

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
The IUPAC name of 4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide (CID 3737651) is 4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide is CCCCCc1c(-c2cccc(O)c2)c(C(N)=O)c(C)n1Cc1ccccc1OC.
What is the InChIKey of 4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
The InChIKey is FIUSWBHTBGICFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-4-5-6-13-21-24(18-11-9-12-20(28)15-18)23(25(26)29)17(2)27(21)16-19-10-7-8-14-22(19)30-3/h7-12,14-15,28H,4-6,13,16H2,1-3H3,(H2,26,29).
What are the key properties of 4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 5.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide is sourced from PubChem (CID 3737651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).