N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide

C17H22N2O2 — CID 65113690

IUPACN-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide
SMILESCCC(O)(CC)CNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H22N2O2/c1-3-17(21,4-2)13-18-16(20)14-8-7-9-15(12-14)19-10-5-6-11-19/h5-12,21H,3-4,13H2,1-2H3,(H,18,20)
InChIKeyZDTNCTPTNZKXCT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.76
Rot. Bonds6

About N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide

N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide (PubChem CID 65113690) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide
PubChem CID65113690
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide
SMILESCCC(O)(CC)CNC(=O)c1cccc(-n2cccc2)c1
InChIInChI=1S/C17H22N2O2/c1-3-17(21,4-2)13-18-16(20)14-8-7-9-15(12-14)19-10-5-6-11-19/h5-12,21H,3-4,13H2,1-2H3,(H,18,20)
InChIKeyZDTNCTPTNZKXCT-UHFFFAOYSA-N
XLogP2.76
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(2-ethyl-2-hydroxybutyl)-1-N-methylbenzene-1,3-dicarboxamide
CID 111483358
N-(2-ethyl-2-hydroxybutyl)-3-(1,2,4-triazol-1-yl)benzamide
CID 111483214
N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzamide
CID 65111998
N-(4-acetamidobutyl)-3-pyrrol-1-ylbenzamide
CID 110356799
N-prop-2-enyl-3-pyrrol-1-ylbenzamide
CID 35154530
N-(4-methoxybutyl)-3-pyrrol-1-ylbenzamide
CID 110617094
N-[2-[(2-ethyl-2-hydroxybutyl)amino]-2-oxoethyl]-3-methylbenzamide
CID 65112131
N-[2-(dimethylamino)-2-phenylethyl]-3-pyrrol-1-ylbenzamide
CID 110301921
N-(2-ethyl-2-hydroxybutyl)-2H-benzotriazole-5-carboxamide
CID 65114221
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-pyrrol-1-ylbenzamide
CID 80716345
N-(2-ethyl-2-hydroxybutyl)-4-formylbenzamide
CID 111463479
N-(2-hydroxy-2-phenylpropyl)-3-imidazol-1-ylbenzamide
CID 111425601

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide?
The IUPAC name of N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide (CID 65113690) is N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide.
What is the SMILES notation for N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide?
The canonical SMILES for N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide is CCC(O)(CC)CNC(=O)c1cccc(-n2cccc2)c1.
What is the InChIKey of N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide?
The InChIKey is ZDTNCTPTNZKXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-17(21,4-2)13-18-16(20)14-8-7-9-15(12-14)19-10-5-6-11-19/h5-12,21H,3-4,13H2,1-2H3,(H,18,20).
What are the key properties of N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide?
N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide has a molecular weight of 286.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-hydroxybutyl)-3-pyrrol-1-ylbenzamide is sourced from PubChem (CID 65113690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).