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

C23H35N3O2 — CID 3766380

IUPAC1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccc(OC)cc2)c(C(N)=O)c(C)n1CCCN(C)C
InChIInChI=1S/C23H35N3O2/c1-6-7-8-10-20-22(18-11-13-19(28-5)14-12-18)21(23(24)27)17(2)26(20)16-9-15-25(3)4/h11-14H,6-10,15-16H2,1-5H3,(H2,24,27)
InChIKeyOIOMEDRQFICCLD-UHFFFAOYSA-N
MW385.55 g/mol
LogP4.26
Rot. Bonds11

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

1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide (PubChem CID 3766380) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide
PubChem CID3766380
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Name1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide
SMILESCCCCCc1c(-c2ccc(OC)cc2)c(C(N)=O)c(C)n1CCCN(C)C
InChIInChI=1S/C23H35N3O2/c1-6-7-8-10-20-22(18-11-13-19(28-5)14-12-18)21(23(24)27)17(2)26(20)16-9-15-25(3)4/h11-14H,6-10,15-16H2,1-5H3,(H2,24,27)
InChIKeyOIOMEDRQFICCLD-UHFFFAOYSA-N
XLogP4.26
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 54.26
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

1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3759188
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate
CID 3578013
4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3763798
4-(4-methoxyphenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 3789443
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-phenyl-5-propylpyrrole-3-carboxamide
CID 3700219
4-(4-chlorophenyl)-1-[3-(dimethylamino)propyl]-2,5-dimethylpyrrole-3-carboxamide
CID 3874510
2-methyl-5-pentyl-4-phenyl-1-(2-phenylethyl)pyrrole-3-carboxamide
CID 3815467
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3599346

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide?
The IUPAC name of 1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide (CID 3766380) is 1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide is CCCCCc1c(-c2ccc(OC)cc2)c(C(N)=O)c(C)n1CCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide?
The InChIKey is OIOMEDRQFICCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-6-7-8-10-20-22(18-11-13-19(28-5)14-12-18)21(23(24)27)17(2)26(20)16-9-15-25(3)4/h11-14H,6-10,15-16H2,1-5H3,(H2,24,27).
What are the key properties of 1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide?
1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide has a molecular weight of 385.55 g/mol, XLogP of 4.26, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide is sourced from PubChem (CID 3766380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).