N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide

C14H21NO2 — CID 141232739

IUPACN-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(CCO)C(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-12(2)11-15(9-10-16)14(17)13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyCSURKHWJJCLTDU-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.17
Rot. Bonds6

About N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide

N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide (PubChem CID 141232739) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide
PubChem CID141232739
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide
SMILESCCC(C)CN(CCO)C(=O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-12(2)11-15(9-10-16)14(17)13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3
InChIKeyCSURKHWJJCLTDU-UHFFFAOYSA-N
XLogP2.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide (CID 141232739) is N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide is CCC(C)CN(CCO)C(=O)c1ccccc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide?
The InChIKey is CSURKHWJJCLTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-12(2)11-15(9-10-16)14(17)13-7-5-4-6-8-13/h4-8,12,16H,3,9-11H2,1-2H3.
What are the key properties of N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide?
N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide has a molecular weight of 235.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2-methylbutyl)benzamide is sourced from PubChem (CID 141232739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).