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

C20H27N3O2 — CID 3243037

IUPAC4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C)c1
InChIInChI=1S/C20H27N3O2/c1-7-23(8-2)16-9-10-17(12(3)11-16)22-20(25)19-13(4)18(15(6)24)14(5)21-19/h9-11,21H,7-8H2,1-6H3,(H,22,25)
InChIKeyJDMJOMOTNCLWHE-UHFFFAOYSA-N
MW341.46 g/mol
LogP4.24
Rot. Bonds6

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

4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 3243037) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID3243037
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C)c1
InChIInChI=1S/C20H27N3O2/c1-7-23(8-2)16-9-10-17(12(3)11-16)22-20(25)19-13(4)18(15(6)24)14(5)21-19/h9-11,21H,7-8H2,1-6H3,(H,22,25)
InChIKeyJDMJOMOTNCLWHE-UHFFFAOYSA-N
XLogP4.24
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
CID 1489239
1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 7117510
Indole-3-glyoxylamide, N,N,2-trimethyl-
CID 14134
4-acetyl-3-ethyl-N-(3-(3-(hydroxyamino)-3-oxopropyl)phenyl)-5-methyl-1H-pyrrole-2-carboxamide
CID 156612861
4-acetyl-N-cyclohexyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 3241255
4-acetyl-N-(4-chlorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 775964
4-acetyl-3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 866986
4-acetyl-N-(2,4-difluorophenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866991
4-acetyl-N-(2,3-dimethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866992
4-acetyl-N-(4-ethylphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 866993
N,N-dimethyl-4-(2-phenylacetyl)-1H-pyrrole-2-carboxamide
CID 1473194

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 3243037) is 4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C)c1.
What is the InChIKey of 4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is JDMJOMOTNCLWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-7-23(8-2)16-9-10-17(12(3)11-16)22-20(25)19-13(4)18(15(6)24)14(5)21-19/h9-11,21H,7-8H2,1-6H3,(H,22,25).
What are the key properties of 4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(diethylamino)-2-methylphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 3243037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).