N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide

C20H26N2O3 — CID 109381074

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C20H26N2O3/c1-13(2)18(24)20(3,4)12-22-19(25)15-7-5-14(6-8-15)17(23)16-9-10-21-11-16/h5-11,13,18,21,24H,12H2,1-4H3,(H,22,25)
InChIKeyBBAOFLWYCOMWLD-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.02
Rot. Bonds7

About N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide (PubChem CID 109381074) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide
PubChem CID109381074
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1
InChIInChI=1S/C20H26N2O3/c1-13(2)18(24)20(3,4)12-22-19(25)15-7-5-14(6-8-15)17(23)16-9-10-21-11-16/h5-11,13,18,21,24H,12H2,1-4H3,(H,22,25)
InChIKeyBBAOFLWYCOMWLD-UHFFFAOYSA-N
XLogP3.02
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
N-(1-methylsulfanylpropan-2-yl)-4-(1H-pyrrole-3-carbonyl)benzamide
CID 71979410
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
3,5-difluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380870
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-pyrrole-2-carboxamide
CID 109379514
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109381000
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
N-propan-2-yl-4-(1H-pyrrole-3-carbonyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 71852525
N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 109380798
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide
CID 109381094

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide (CID 109381074) is N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide is CC(C)C(O)C(C)(C)CNC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide?
The InChIKey is BBAOFLWYCOMWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(2)18(24)20(3,4)12-22-19(25)15-7-5-14(6-8-15)17(23)16-9-10-21-11-16/h5-11,13,18,21,24H,12H2,1-4H3,(H,22,25).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide has a molecular weight of 342.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1H-pyrrole-3-carbonyl)benzamide is sourced from PubChem (CID 109381074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).