5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide

C20H26N2O — CID 3766755

IUPAC5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide
SMILESC=CCn1c(C)c(C(N)=O)c(-c2ccc(C)cc2)c1CCCC
InChIInChI=1S/C20H26N2O/c1-5-7-8-17-19(16-11-9-14(3)10-12-16)18(20(21)23)15(4)22(17)13-6-2/h6,9-12H,2,5,7-8,13H2,1,3-4H3,(H2,21,23)
InChIKeyOBLGZYSXQHQOAP-UHFFFAOYSA-N
MW310.44 g/mol
LogP4.40
Rot. Bonds7

About 5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide

5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide (PubChem CID 3766755) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide
PubChem CID3766755
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide
SMILESC=CCn1c(C)c(C(N)=O)c(-c2ccc(C)cc2)c1CCCC
InChIInChI=1S/C20H26N2O/c1-5-7-8-17-19(16-11-9-14(3)10-12-16)18(20(21)23)15(4)22(17)13-6-2/h6,9-12H,2,5,7-8,13H2,1,3-4H3,(H2,21,23)
InChIKeyOBLGZYSXQHQOAP-UHFFFAOYSA-N
XLogP4.40
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3340286
5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3696850
5-butyl-2-methyl-1-prop-2-enyl-4-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 3766615
1-(3-hydroxypropyl)-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3794616
methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-prop-2-enylpyrrol-3-yl)benzoate
CID 3678041
methyl 3-[4-carbamoyl-5-methyl-3-(4-phenylphenyl)-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3853015
methyl 3-[4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3741633
1-benzyl-2-methyl-5-pentyl-4-(4-phenylphenyl)pyrrole-3-carboxamide
CID 3690557
methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-5-methyl-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3861988
5-butyl-2-methyl-4-(4-methylphenyl)-1-(2-thiophen-2-ylethyl)pyrrole-3-carboxamide
CID 3756089
5-butyl-2-methyl-4-phenyl-1-undecylpyrrole-3-carboxamide
CID 3864834
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide?
The IUPAC name of 5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide (CID 3766755) is 5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide.
What is the SMILES notation for 5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide?
The canonical SMILES for 5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide is C=CCn1c(C)c(C(N)=O)c(-c2ccc(C)cc2)c1CCCC.
What is the InChIKey of 5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide?
The InChIKey is OBLGZYSXQHQOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c1-5-7-8-17-19(16-11-9-14(3)10-12-16)18(20(21)23)15(4)22(17)13-6-2/h6,9-12H,2,5,7-8,13H2,1,3-4H3,(H2,21,23).
What are the key properties of 5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide?
5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide has a molecular weight of 310.44 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide is sourced from PubChem (CID 3766755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).