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

C27H35N3O2 — CID 3763798

IUPAC4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccc(N(C)C)cc2)c(C(N)=O)c(C)n1Cc1ccccc1OC
InChIInChI=1S/C27H35N3O2/c1-6-7-8-12-23-26(20-14-16-22(17-15-20)29(3)4)25(27(28)31)19(2)30(23)18-21-11-9-10-13-24(21)32-5/h9-11,13-17H,6-8,12,18H2,1-5H3,(H2,28,31)
InChIKeyWJNCZHSNKGUGNO-UHFFFAOYSA-N
MW433.60 g/mol
LogP5.42
Rot. Bonds10

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

4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide (PubChem CID 3763798) has the molecular formula C27H35N3O2 and a molecular weight of 433.60 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
PubChem CID3763798
Molecular FormulaC27H35N3O2
Molecular Weight433.60 g/mol
Exact Mass433.27
IUPAC Name4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccc(N(C)C)cc2)c(C(N)=O)c(C)n1Cc1ccccc1OC
InChIInChI=1S/C27H35N3O2/c1-6-7-8-12-23-26(20-14-16-22(17-15-20)29(3)4)25(27(28)31)19(2)30(23)18-21-11-9-10-13-24(21)32-5/h9-11,13-17H,6-8,12,18H2,1-5H3,(H2,28,31)
InChIKeyWJNCZHSNKGUGNO-UHFFFAOYSA-N
XLogP5.42
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.60
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 3685628
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-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-1-[(2-methoxyphenyl)methyl]-2-methyl-4-(3-phenoxyphenyl)pyrrole-3-carboxamide
CID 3781030
4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3340286
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3599346
1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3766380
methyl 4-(1-benzyl-4-carbamoyl-5-methyl-2-pentylpyrrol-3-yl)benzoate
CID 3740968
4-[4-(dimethylamino)phenyl]-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3666934

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide (CID 3763798) is 4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide is CCCCCc1c(-c2ccc(N(C)C)cc2)c(C(N)=O)c(C)n1Cc1ccccc1OC.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
The InChIKey is WJNCZHSNKGUGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O2/c1-6-7-8-12-23-26(20-14-16-22(17-15-20)29(3)4)25(27(28)31)19(2)30(23)18-21-11-9-10-13-24(21)32-5/h9-11,13-17H,6-8,12,18H2,1-5H3,(H2,28,31).
What are the key properties of 4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide?
4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 5.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide is sourced from PubChem (CID 3763798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).