4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

C20H26N2O3 — CID 134043470

IUPAC4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(C)c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C20H26N2O3/c1-11(2)25-17-9-7-16(8-10-17)13(4)22-20(24)19-12(3)18(15(6)23)14(5)21-19/h7-11,13,21H,1-6H3,(H,22,24)
InChIKeyMJEHBXVBQLQBBH-UHFFFAOYSA-N
MW342.44 g/mol
LogP4.11
Rot. Bonds6

About 4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide

4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 134043470) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID134043470
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)NC(C)c2ccc(OC(C)C)cc2)c1C
InChIInChI=1S/C20H26N2O3/c1-11(2)25-17-9-7-16(8-10-17)13(4)22-20(24)19-12(3)18(15(6)23)14(5)21-19/h7-11,13,21H,1-6H3,(H,22,24)
InChIKeyMJEHBXVBQLQBBH-UHFFFAOYSA-N
XLogP4.11
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-[1-[4-(difluoromethoxy)phenyl]ethyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 60504904
4-acetyl-N-[1-(3,4-dipropoxyphenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 46653449
4-acetyl-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40953604
4-acetyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 31721136
4-acetyl-3,5-dimethyl-N-(2-methyl-1-phenylpropyl)-1H-pyrrole-2-carboxamide
CID 46530467
4-acetyl-3,5-dimethyl-N-(1-pyridin-2-ylethyl)-1H-pyrrole-2-carboxamide
CID 17391873
[(2S)-1-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 41104110
4-acetyl-N-[4-[(2S)-butan-2-yl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 7951887
4-acetyl-N-[(2S)-1-aminopropan-2-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 120507986
2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]-3-methylbutanoic acid
CID 119136328
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 55434940
4-acetyl-3,5-dimethyl-N-(3-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 36567496

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide (CID 134043470) is 4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)NC(C)c2ccc(OC(C)C)cc2)c1C.
What is the InChIKey of 4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is MJEHBXVBQLQBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-11(2)25-17-9-7-16(8-10-17)13(4)22-20(24)19-12(3)18(15(6)23)14(5)21-19/h7-11,13,21H,1-6H3,(H,22,24).
What are the key properties of 4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide?
4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3,5-dimethyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134043470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).