4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

C17H20N2O3 — CID 867006

IUPAC4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C17H20N2O3/c1-10-15(12(3)20)11(2)19-16(10)17(21)18-9-13-7-5-6-8-14(13)22-4/h5-8,19H,9H2,1-4H3,(H,18,21)
InChIKeyCGSPPENTBKIIEE-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.77
Rot. Bonds5

About 4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 867006) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID867006
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCOc1ccccc1CNC(=O)c1[nH]c(C)c(C(C)=O)c1C
InChIInChI=1S/C17H20N2O3/c1-10-15(12(3)20)11(2)19-16(10)17(21)18-9-13-7-5-6-8-14(13)22-4/h5-8,19H,9H2,1-4H3,(H,18,21)
InChIKeyCGSPPENTBKIIEE-UHFFFAOYSA-N
XLogP2.77
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 867006) is 4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is COc1ccccc1CNC(=O)c1[nH]c(C)c(C(C)=O)c1C.
What is the InChIKey of 4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is CGSPPENTBKIIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-10-15(12(3)20)11(2)19-16(10)17(21)18-9-13-7-5-6-8-14(13)22-4/h5-8,19H,9H2,1-4H3,(H,18,21).
What are the key properties of 4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(2-methoxyphenyl)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 867006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).