5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide

C18H22N2O2 — CID 3696850

IUPAC5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
SMILESC=CCn1c(C)c(C(N)=O)c(-c2ccc(OC)cc2)c1CC
InChIInChI=1S/C18H22N2O2/c1-5-11-20-12(3)16(18(19)21)17(15(20)6-2)13-7-9-14(22-4)10-8-13/h5,7-10H,1,6,11H2,2-4H3,(H2,19,21)
InChIKeyRVBIAYVINYAQHQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.32
Rot. Bonds6

About 5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide

5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide (PubChem CID 3696850) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
PubChem CID3696850
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
SMILESC=CCn1c(C)c(C(N)=O)c(-c2ccc(OC)cc2)c1CC
InChIInChI=1S/C18H22N2O2/c1-5-11-20-12(3)16(18(19)21)17(15(20)6-2)13-7-9-14(22-4)10-8-13/h5,7-10H,1,6,11H2,2-4H3,(H2,19,21)
InChIKeyRVBIAYVINYAQHQ-UHFFFAOYSA-N
XLogP3.32
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[4-carbamoyl-3-(4-methoxyphenyl)-5-methyl-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3741633
methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-prop-2-enylpyrrol-3-yl)benzoate
CID 3678041
5-butyl-2-methyl-4-(4-methylphenyl)-1-prop-2-enylpyrrole-3-carboxamide
CID 3766755
methyl 3-[4-carbamoyl-5-methyl-3-(4-phenylphenyl)-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3853015
5-ethyl-4-(3-fluorophenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3571348
1,5-dibutyl-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3748137
methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-5-methyl-1-prop-2-enylpyrrol-2-yl]propanoate
CID 3861988
4-[4-(dimethylamino)phenyl]-2-methyl-5-pentyl-1-prop-2-enylpyrrole-3-carboxamide
CID 3340286
methyl 4-(4-carbamoyl-2,5-dimethyl-1-prop-2-enylpyrrol-3-yl)benzoate
CID 3549539
5-ethyl-1-[2-(1H-imidazol-5-yl)ethyl]-4-(4-methoxyphenyl)-2-methylpyrrole-3-carboxamide
CID 3423935
methyl 4-(4-carbamoyl-2-ethyl-5-methyl-1-propylpyrrol-3-yl)benzoate
CID 3719108
1-[3-(dimethylamino)propyl]-4-(4-methoxyphenyl)-2-methyl-5-pentylpyrrole-3-carboxamide
CID 3766380

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide?
The IUPAC name of 5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide (CID 3696850) is 5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide.
What is the SMILES notation for 5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide?
The canonical SMILES for 5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide is C=CCn1c(C)c(C(N)=O)c(-c2ccc(OC)cc2)c1CC.
What is the InChIKey of 5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide?
The InChIKey is RVBIAYVINYAQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-5-11-20-12(3)16(18(19)21)17(15(20)6-2)13-7-9-14(22-4)10-8-13/h5,7-10H,1,6,11H2,2-4H3,(H2,19,21).
What are the key properties of 5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide?
5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4-methoxyphenyl)-2-methyl-1-prop-2-enylpyrrole-3-carboxamide is sourced from PubChem (CID 3696850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).