4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide

C22H31N3O — CID 3340286

IUPAC4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide
SMILESC=CCn1c(C)c(C(N)=O)c(-c2ccc(N(C)C)cc2)c1CCCCC
InChIInChI=1S/C22H31N3O/c1-6-8-9-10-19-21(17-11-13-18(14-12-17)24(4)5)20(22(23)26)16(3)25(19)15-7-2/h7,11-14H,2,6,8-10,15H2,1,3-5H3,(H2,23,26)
InChIKeyODZZPOZUWLOIQU-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.55
Rot. Bonds9

About 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide

4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide (PubChem CID 3340286) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide
PubChem CID3340286
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide
SMILESC=CCn1c(C)c(C(N)=O)c(-c2ccc(N(C)C)cc2)c1CCCCC
InChIInChI=1S/C22H31N3O/c1-6-8-9-10-19-21(17-11-13-18(14-12-17)24(4)5)20(22(23)26)16(3)25(19)15-7-2/h7,11-14H,2,6,8-10,15H2,1,3-5H3,(H2,23,26)
InChIKeyODZZPOZUWLOIQU-UHFFFAOYSA-N
XLogP4.55
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide
CID 3766755
4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-(2-piperidin-1-ylethyl)pyrrole-3-carboxamide
CID 3599346
4-[4-(dimethylamino)phenyl]-2-methyl-1-(3-morpholin-4-ylpropyl)-5-pentylpyrrole-3-carboxamide
CID 3666934
4-[4-(dimethylamino)phenyl]-1-[(2-methoxyphenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3763798
5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3696850
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
methyl 3-[4-carbamoyl-5-methyl-3-(4-phenylphenyl)-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3853015
methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-prop-2-enylpyrrol-3-yl)benzoate
CID 3678041
4-[4-(dimethylamino)phenyl]-2-methyl-1-(2-piperidin-1-ylethyl)-5-propylpyrrole-3-carboxamide
CID 4997079
methyl 3-[4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3741633
methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-5-methyl-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3861988

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide (CID 3340286) is 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide is C=CCn1c(C)c(C(N)=O)c(-c2ccc(N(C)C)cc2)c1CCCCC.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide?
The InChIKey is ODZZPOZUWLOIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-6-8-9-10-19-21(17-11-13-18(14-12-17)24(4)5)20(22(23)26)16(3)25(19)15-7-2/h7,11-14H,2,6,8-10,15H2,1,3-5H3,(H2,23,26).
What are the key properties of 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide?
4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 4.55, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide is sourced from PubChem (CID 3340286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).