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

C16H23NO3 — CID 134878903

IUPACN,N-diethyl-2-(4-hydroxypentanoyl)benzamide
SMILESCCN(CC)C(=O)c1ccccc1C(=O)CCC(C)O
InChIInChI=1S/C16H23NO3/c1-4-17(5-2)16(20)14-9-7-6-8-13(14)15(19)11-10-12(3)18/h6-9,12,18H,4-5,10-11H2,1-3H3
InChIKeyIBXGXLYZMOQLBP-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.51
Rot. Bonds7

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

N,N-diethyl-2-(4-hydroxypentanoyl)benzamide (PubChem CID 134878903) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N,N-diethyl-2-(4-hydroxypentanoyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-hydroxypentanoyl)benzamide
PubChem CID134878903
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN,N-diethyl-2-(4-hydroxypentanoyl)benzamide
SMILESCCN(CC)C(=O)c1ccccc1C(=O)CCC(C)O
InChIInChI=1S/C16H23NO3/c1-4-17(5-2)16(20)14-9-7-6-8-13(14)15(19)11-10-12(3)18/h6-9,12,18H,4-5,10-11H2,1-3H3
InChIKeyIBXGXLYZMOQLBP-UHFFFAOYSA-N
XLogP2.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.51
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-hydroxypentanoyl)benzamide?
The IUPAC name of N,N-diethyl-2-(4-hydroxypentanoyl)benzamide (CID 134878903) is N,N-diethyl-2-(4-hydroxypentanoyl)benzamide.
What is the SMILES notation for N,N-diethyl-2-(4-hydroxypentanoyl)benzamide?
The canonical SMILES for N,N-diethyl-2-(4-hydroxypentanoyl)benzamide is CCN(CC)C(=O)c1ccccc1C(=O)CCC(C)O.
What is the InChIKey of N,N-diethyl-2-(4-hydroxypentanoyl)benzamide?
The InChIKey is IBXGXLYZMOQLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-4-17(5-2)16(20)14-9-7-6-8-13(14)15(19)11-10-12(3)18/h6-9,12,18H,4-5,10-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-hydroxypentanoyl)benzamide?
N,N-diethyl-2-(4-hydroxypentanoyl)benzamide has a molecular weight of 277.36 g/mol, XLogP of 2.51, 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-hydroxypentanoyl)benzamide is sourced from PubChem (CID 134878903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).