N,N-diethyl-2-(5-hydroxypentanoyl)benzamide

C16H23NO3 — CID 11140387

IUPACN,N-diethyl-2-(5-hydroxypentanoyl)benzamide
SMILESCCN(CC)C(=O)c1ccccc1C(=O)CCCCO
InChIInChI=1S/C16H23NO3/c1-3-17(4-2)16(20)14-10-6-5-9-13(14)15(19)11-7-8-12-18/h5-6,9-10,18H,3-4,7-8,11-12H2,1-2H3
InChIKeySBINCBFKXJCESY-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.51
Rot. Bonds8

About N,N-diethyl-2-(5-hydroxypentanoyl)benzamide

N,N-diethyl-2-(5-hydroxypentanoyl)benzamide (PubChem CID 11140387) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N,N-diethyl-2-(5-hydroxypentanoyl)benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-(5-hydroxypentanoyl)benzamide
PubChem CID11140387
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN,N-diethyl-2-(5-hydroxypentanoyl)benzamide
SMILESCCN(CC)C(=O)c1ccccc1C(=O)CCCCO
InChIInChI=1S/C16H23NO3/c1-3-17(4-2)16(20)14-10-6-5-9-13(14)15(19)11-7-8-12-18/h5-6,9-10,18H,3-4,7-8,11-12H2,1-2H3
InChIKeySBINCBFKXJCESY-UHFFFAOYSA-N
XLogP2.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-hydroxypentanoyl)benzamide?
The IUPAC name of N,N-diethyl-2-(5-hydroxypentanoyl)benzamide (CID 11140387) is N,N-diethyl-2-(5-hydroxypentanoyl)benzamide.
What is the SMILES notation for N,N-diethyl-2-(5-hydroxypentanoyl)benzamide?
The canonical SMILES for N,N-diethyl-2-(5-hydroxypentanoyl)benzamide is CCN(CC)C(=O)c1ccccc1C(=O)CCCCO.
What is the InChIKey of N,N-diethyl-2-(5-hydroxypentanoyl)benzamide?
The InChIKey is SBINCBFKXJCESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-17(4-2)16(20)14-10-6-5-9-13(14)15(19)11-7-8-12-18/h5-6,9-10,18H,3-4,7-8,11-12H2,1-2H3.
What are the key properties of N,N-diethyl-2-(5-hydroxypentanoyl)benzamide?
N,N-diethyl-2-(5-hydroxypentanoyl)benzamide has a molecular weight of 277.36 g/mol, XLogP of 2.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-hydroxypentanoyl)benzamide is sourced from PubChem (CID 11140387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).