4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide

C15H24N2O3 — CID 109379514

IUPAC4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCC(C)(C)C(O)C(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-9(2)13(19)15(4,5)8-17-14(20)12-6-11(7-16-12)10(3)18/h6-7,9,13,16,19H,8H2,1-5H3,(H,17,20)
InChIKeyKJCISEZPAUPYNR-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.99
Rot. Bonds6

About 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide

4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide (PubChem CID 109379514) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide
PubChem CID109379514
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCC(C)(C)C(O)C(C)C)c1
InChIInChI=1S/C15H24N2O3/c1-9(2)13(19)15(4,5)8-17-14(20)12-6-11(7-16-12)10(3)18/h6-7,9,13,16,19H,8H2,1-5H3,(H,17,20)
InChIKeyKJCISEZPAUPYNR-UHFFFAOYSA-N
XLogP1.99
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
4-acetyl-N-[(2R)-2-hydroxypropyl]-1H-pyrrole-2-carboxamide
CID 83039375
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
(2R)-2-[(4-acetyl-1H-pyrrole-2-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 113353042
4-acetyl-N-(3-hydroxypropyl)-1H-pyrrole-2-carboxamide
CID 43394553
4-acetyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1H-pyrrole-2-carboxamide
CID 103933422
4-acetyl-N-[2-(4-tert-butylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 24616440
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide
CID 109381074
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
4-acetyl-N-(6-hydroxyhexyl)-1H-pyrrole-2-carboxamide
CID 103918698
5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide
CID 109380589

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide (CID 109379514) is 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCC(C)(C)C(O)C(C)C)c1.
What is the InChIKey of 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide?
The InChIKey is KJCISEZPAUPYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-9(2)13(19)15(4,5)8-17-14(20)12-6-11(7-16-12)10(3)18/h6-7,9,13,16,19H,8H2,1-5H3,(H,17,20).
What are the key properties of 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide?
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 109379514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).