1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide

C24H35N3O2 — CID 3828892

IUPAC1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(N3CCCC3)cc2)c(C(N)=O)c(C)n1CCCOCC
InChIInChI=1S/C24H35N3O2/c1-4-9-21-23(19-10-12-20(13-11-19)26-14-6-7-15-26)22(24(25)28)18(3)27(21)16-8-17-29-5-2/h10-13H,4-9,14-17H2,1-3H3,(H2,25,28)
InChIKeyAYLZXBRAWRZXKS-UHFFFAOYSA-N
MW397.56 g/mol
LogP4.54
Rot. Bonds10

About 1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide

1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide (PubChem CID 3828892) has the molecular formula C24H35N3O2 and a molecular weight of 397.56 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
PubChem CID3828892
Molecular FormulaC24H35N3O2
Molecular Weight397.56 g/mol
Exact Mass397.27
IUPAC Name1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(N3CCCC3)cc2)c(C(N)=O)c(C)n1CCCOCC
InChIInChI=1S/C24H35N3O2/c1-4-9-21-23(19-10-12-20(13-11-19)26-14-6-7-15-26)22(24(25)28)18(3)27(21)16-8-17-29-5-2/h10-13H,4-9,14-17H2,1-3H3,(H2,25,28)
InChIKeyAYLZXBRAWRZXKS-UHFFFAOYSA-N
XLogP4.54
TPSA60.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.56
LogP ≤ 54.54
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-(3-ethoxypropyl)-2-methyl-4-(2-methylphenyl)-5-propylpyrrole-3-carboxamide
CID 3505110
4-(4-bromophenyl)-1-(3-ethoxypropyl)-5-ethyl-2-methylpyrrole-3-carboxamide
CID 3843034
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
methyl 4-(1-butyl-4-carbamoyl-5-methyl-2-propylpyrrol-3-yl)benzoate
CID 3578013
2-methyl-4-(4-methylphenyl)-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3758557
5-butyl-4-(2-chlorophenyl)-1-(3-ethoxypropyl)-2-methylpyrrole-3-carboxamide
CID 3790315
4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide
CID 4997079
4-(4-methoxyphenyl)-2-methyl-1-[3-(2-oxopyrrolidin-1-yl)propyl]-5-propylpyrrole-3-carboxamide
CID 3789443
5-butyl-1-(3-ethoxypropyl)-4-(2-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3870995
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide
CID 59526415
methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate
CID 3836286

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide (CID 3828892) is 1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide is CCCc1c(-c2ccc(N3CCCC3)cc2)c(C(N)=O)c(C)n1CCCOCC.
What is the InChIKey of 1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide?
The InChIKey is AYLZXBRAWRZXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O2/c1-4-9-21-23(19-10-12-20(13-11-19)26-14-6-7-15-26)22(24(25)28)18(3)27(21)16-8-17-29-5-2/h10-13H,4-9,14-17H2,1-3H3,(H2,25,28).
What are the key properties of 1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide?
1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide has a molecular weight of 397.56 g/mol, XLogP of 4.54, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-2-methyl-5-propyl-4-(4-pyrrolidin-1-ylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3828892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).