3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide

C20H26N2O2 — CID 3394798

IUPAC3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCn1c(-c2ccccc2)cc(C(C)=O)c1C
InChIInChI=1S/C20H26N2O2/c1-5-14(2)21-20(24)11-12-22-15(3)18(16(4)23)13-19(22)17-9-7-6-8-10-17/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,24)
InChIKeyMXVBGIFJGKTGQE-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.97
Rot. Bonds7

About 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide

3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide (PubChem CID 3394798) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide
PubChem CID3394798
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)CCn1c(-c2ccccc2)cc(C(C)=O)c1C
InChIInChI=1S/C20H26N2O2/c1-5-14(2)21-20(24)11-12-22-15(3)18(16(4)23)13-19(22)17-9-7-6-8-10-17/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,24)
InChIKeyMXVBGIFJGKTGQE-UHFFFAOYSA-N
XLogP3.97
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[3-(butan-2-ylamino)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 4620181
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 3665065
1-(2-hydroxyethyl)-2-methyl-5-phenylpyrrole-3-carboxylic acid
CID 82085719
2-methyl-1-(2-methylsulfanylethyl)-5-phenylpyrrole-3-carboxylic acid
CID 2736901
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(3-methylphenyl)acetamide
CID 3321229
2-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 3672749
2-[3-(2-methyl-6-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 82031244
ethyl 1-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]-2-methyl-5-phenylpyrrole-3-carboxylate
CID 3608249
N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276
N-butan-2-yl-2-(6-methyl-4-oxo-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-3-yl)acetamide
CID 110430021
N-butan-2-yl-1-methyl-4-phenylpyrrole-2-carboxamide
CID 50847027
N-butan-2-yl-3-(2,3-dihydroindol-1-yl)propanamide
CID 109012970

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide?
The IUPAC name of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide (CID 3394798) is 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide.
What is the SMILES notation for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide?
The canonical SMILES for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide is CCC(C)NC(=O)CCn1c(-c2ccccc2)cc(C(C)=O)c1C.
What is the InChIKey of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide?
The InChIKey is MXVBGIFJGKTGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-5-14(2)21-20(24)11-12-22-15(3)18(16(4)23)13-19(22)17-9-7-6-8-10-17/h6-10,13-14H,5,11-12H2,1-4H3,(H,21,24).
What are the key properties of 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide?
3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide has a molecular weight of 326.44 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetyl-2-methyl-5-phenylpyrrol-1-yl)-N-butan-2-ylpropanamide is sourced from PubChem (CID 3394798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).