1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide

C18H24N2O3 — CID 51113417

IUPAC1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOCC(C)NC(=O)c1cc(C)n(-c2cccc(OC)c2)c1C
InChIInChI=1S/C18H24N2O3/c1-12(11-22-4)19-18(21)17-9-13(2)20(14(17)3)15-7-6-8-16(10-15)23-5/h6-10,12H,11H2,1-5H3,(H,19,21)
InChIKeyOVQXKTIKXLIWAW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.87
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide

1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 51113417) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide
PubChem CID51113417
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide
SMILESCOCC(C)NC(=O)c1cc(C)n(-c2cccc(OC)c2)c1C
InChIInChI=1S/C18H24N2O3/c1-12(11-22-4)19-18(21)17-9-13(2)20(14(17)3)15-7-6-8-16(10-15)23-5/h6-10,12H,11H2,1-5H3,(H,19,21)
InChIKeyOVQXKTIKXLIWAW-UHFFFAOYSA-N
XLogP2.87
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide (CID 51113417) is 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide is COCC(C)NC(=O)c1cc(C)n(-c2cccc(OC)c2)c1C.
What is the InChIKey of 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is OVQXKTIKXLIWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-12(11-22-4)19-18(21)17-9-13(2)20(14(17)3)15-7-6-8-16(10-15)23-5/h6-10,12H,11H2,1-5H3,(H,19,21).
What are the key properties of 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide?
1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-(1-methoxypropan-2-yl)-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 51113417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).