N,N-diethyl-2-(4-hydroxybutanoyl)benzamide

C15H21NO3 — CID 134878860

IUPACN,N-diethyl-2-(4-hydroxybutanoyl)benzamide
SMILESCCN(CC)C(=O)c1ccccc1C(=O)CCCO
InChIInChI=1S/C15H21NO3/c1-3-16(4-2)15(19)13-9-6-5-8-12(13)14(18)10-7-11-17/h5-6,8-9,17H,3-4,7,10-11H2,1-2H3
InChIKeyGXKFNLOAZPYLTR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.12
Rot. Bonds7

About N,N-diethyl-2-(4-hydroxybutanoyl)benzamide

N,N-diethyl-2-(4-hydroxybutanoyl)benzamide (PubChem CID 134878860) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N,N-diethyl-2-(4-hydroxybutanoyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-hydroxybutanoyl)benzamide
PubChem CID134878860
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN,N-diethyl-2-(4-hydroxybutanoyl)benzamide
SMILESCCN(CC)C(=O)c1ccccc1C(=O)CCCO
InChIInChI=1S/C15H21NO3/c1-3-16(4-2)15(19)13-9-6-5-8-12(13)14(18)10-7-11-17/h5-6,8-9,17H,3-4,7,10-11H2,1-2H3
InChIKeyGXKFNLOAZPYLTR-UHFFFAOYSA-N
XLogP2.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-hydroxybutanoyl)benzamide?
The IUPAC name of N,N-diethyl-2-(4-hydroxybutanoyl)benzamide (CID 134878860) is N,N-diethyl-2-(4-hydroxybutanoyl)benzamide.
What is the SMILES notation for N,N-diethyl-2-(4-hydroxybutanoyl)benzamide?
The canonical SMILES for N,N-diethyl-2-(4-hydroxybutanoyl)benzamide is CCN(CC)C(=O)c1ccccc1C(=O)CCCO.
What is the InChIKey of N,N-diethyl-2-(4-hydroxybutanoyl)benzamide?
The InChIKey is GXKFNLOAZPYLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-16(4-2)15(19)13-9-6-5-8-12(13)14(18)10-7-11-17/h5-6,8-9,17H,3-4,7,10-11H2,1-2H3.
What are the key properties of N,N-diethyl-2-(4-hydroxybutanoyl)benzamide?
N,N-diethyl-2-(4-hydroxybutanoyl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-hydroxybutanoyl)benzamide is sourced from PubChem (CID 134878860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).