4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide

C18H24N2O2 — CID 57039365

IUPAC4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide
SMILESCC(C)(CCc1ccc(C(N)=O)cc1)C1(CCO)C=CC=N1
InChIInChI=1S/C18H24N2O2/c1-17(2,18(11-13-21)9-3-12-20-18)10-8-14-4-6-15(7-5-14)16(19)22/h3-7,9,12,21H,8,10-11,13H2,1-2H3,(H2,19,22)
InChIKeyURIDYGRSVQNACW-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.51
Rot. Bonds7

About 4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide

4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide (PubChem CID 57039365) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide.

Molecular Properties

Compound Name4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide
PubChem CID57039365
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide
SMILESCC(C)(CCc1ccc(C(N)=O)cc1)C1(CCO)C=CC=N1
InChIInChI=1S/C18H24N2O2/c1-17(2,18(11-13-21)9-3-12-20-18)10-8-14-4-6-15(7-5-14)16(19)22/h3-7,9,12,21H,8,10-11,13H2,1-2H3,(H2,19,22)
InChIKeyURIDYGRSVQNACW-UHFFFAOYSA-N
XLogP2.51
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14507735
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CID 23071598
(4-tert-butylphenyl)methyl 4-carbamoylbenzoate
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CID 131740255
[4-(aminomethyl)phenyl]methanamine;benzene-1,4-dicarboxamide
CID 68644964
4-N-(4-hydroxy-2,2-dimethylbutyl)benzene-1,4-dicarboxamide
CID 103772906
3-methyl-3-(methylamino)-5-phenylpentanamide
CID 65236751
6-[(4-hydroxy-2,2-dimethylbutyl)amino]pyridine-3-carboxamide
CID 103705247
4-(2-hydroxyethyl)benzoic acid
CID 506062
4-(4-ethylphenyl)benzamide
CID 53425878
[4-[4-(hydroxymethyl)phenyl]-2-methylbutan-2-yl] carbamate
CID 151194461

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide?
The IUPAC name of 4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide (CID 57039365) is 4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide.
What is the SMILES notation for 4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide?
The canonical SMILES for 4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide is CC(C)(CCc1ccc(C(N)=O)cc1)C1(CCO)C=CC=N1.
What is the InChIKey of 4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide?
The InChIKey is URIDYGRSVQNACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-17(2,18(11-13-21)9-3-12-20-18)10-8-14-4-6-15(7-5-14)16(19)22/h3-7,9,12,21H,8,10-11,13H2,1-2H3,(H2,19,22).
What are the key properties of 4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide?
4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide has a molecular weight of 300.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-hydroxyethyl)pyrrol-2-yl]-3-methylbutyl]benzamide is sourced from PubChem (CID 57039365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).