2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide

C19H24N2O2 — CID 4983436

IUPAC2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C19H24N2O2/c1-13-16(14(2)22)11-17(15-9-7-6-8-10-15)21(13)12-18(23)20-19(3,4)5/h6-11H,12H2,1-5H3,(H,20,23)
InChIKeyPCJGHPSHRNOJRT-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.58
Rot. Bonds4

About 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide

2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide (PubChem CID 4983436) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide.

Molecular Properties

Compound Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide
PubChem CID4983436
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide
SMILESCC(=O)c1cc(-c2ccccc2)n(CC(=O)NC(C)(C)C)c1C
InChIInChI=1S/C19H24N2O2/c1-13-16(14(2)22)11-17(15-9-7-6-8-10-15)21(13)12-18(23)20-19(3,4)5/h6-11H,12H2,1-5H3,(H,20,23)
InChIKeyPCJGHPSHRNOJRT-UHFFFAOYSA-N
XLogP3.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-(1-benzyl-2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 7802604
Cym-5520
CID 25110470
(2E)-N-hydroxy-3-(1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl)prop-2-enamide
CID 10379137
Pyrrole-2-carboxamide, 4-acetyl-N-benzyl-3,5-dimethyl-
CID 211019
1-[2-[2,5-Dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 2113511
1-benzyl-2-ethyl-4,5,6,7-tetrahydro-1H-indol-4-one
CID 11128828
3-(2,5-dimethylpyrrol-1-yl)-N-phenylbenzamide
CID 947451
4-acetyl-N-benzyl-1H-pyrrole-2-carboxamide
CID 1489239
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
2-methyl-N-(4-methylphenyl)-1-(3-morpholinopropyl)-5-phenyl-1H-pyrrole-3-carboxamide
CID 2742391
2-methyl-1-(3-morpholinopropyl)-N,5-diphenyl-1H-pyrrole-3-carboxamide
CID 2742727
1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperazin-1-yl)ethane-1,2-dione
CID 7117510

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide?
The IUPAC name of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide (CID 4983436) is 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide.
What is the SMILES notation for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide?
The canonical SMILES for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide is CC(=O)c1cc(-c2ccccc2)n(CC(=O)NC(C)(C)C)c1C.
What is the InChIKey of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide?
The InChIKey is PCJGHPSHRNOJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-13-16(14(2)22)11-17(15-9-7-6-8-10-15)21(13)12-18(23)20-19(3,4)5/h6-11H,12H2,1-5H3,(H,20,23).
What are the key properties of 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide?
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide has a molecular weight of 312.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-tert-butylacetamide is sourced from PubChem (CID 4983436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).