4-(diethylamino)-N-(4-hydroxybutyl)benzamide

C15H24N2O2 — CID 106843290

IUPAC4-(diethylamino)-N-(4-hydroxybutyl)benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCCCO)cc1
InChIInChI=1S/C15H24N2O2/c1-3-17(4-2)14-9-7-13(8-10-14)15(19)16-11-5-6-12-18/h7-10,18H,3-6,11-12H2,1-2H3,(H,16,19)
InChIKeyVFWKQYKWRPYEJV-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.04
Rot. Bonds8

About 4-(diethylamino)-N-(4-hydroxybutyl)benzamide

4-(diethylamino)-N-(4-hydroxybutyl)benzamide (PubChem CID 106843290) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-(diethylamino)-N-(4-hydroxybutyl)benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-(4-hydroxybutyl)benzamide
PubChem CID106843290
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name4-(diethylamino)-N-(4-hydroxybutyl)benzamide
SMILESCCN(CC)c1ccc(C(=O)NCCCCO)cc1
InChIInChI=1S/C15H24N2O2/c1-3-17(4-2)14-9-7-13(8-10-14)15(19)16-11-5-6-12-18/h7-10,18H,3-6,11-12H2,1-2H3,(H,16,19)
InChIKeyVFWKQYKWRPYEJV-UHFFFAOYSA-N
XLogP2.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827
N-(2-acetamidoethyl)-4-(diethylamino)benzamide
CID 2481626
4-(diethylamino)-N-(3-piperidin-1-ylpropyl)benzamide
CID 11638289
1-N,4-N-bis[3-(diethylamino)propyl]benzene-1,4-dicarboxamide
CID 2842708
4-(dimethylamino)-N-pentylbenzamide
CID 21064504
4-chloro-N-(5-hydroxypentyl)benzamide
CID 107318437
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186
4-(dimethylamino)-N-heptylbenzamide
CID 86046283
4-[benzyl(ethyl)amino]-N-[3-(methylamino)propyl]benzamide
CID 119433593
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
4-(diethylamino)-N-(1,3-dihydroxypropan-2-yl)benzamide
CID 65312704
4-(diethylamino)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]benzamide
CID 107846242

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-(4-hydroxybutyl)benzamide?
The IUPAC name of 4-(diethylamino)-N-(4-hydroxybutyl)benzamide (CID 106843290) is 4-(diethylamino)-N-(4-hydroxybutyl)benzamide.
What is the SMILES notation for 4-(diethylamino)-N-(4-hydroxybutyl)benzamide?
The canonical SMILES for 4-(diethylamino)-N-(4-hydroxybutyl)benzamide is CCN(CC)c1ccc(C(=O)NCCCCO)cc1.
What is the InChIKey of 4-(diethylamino)-N-(4-hydroxybutyl)benzamide?
The InChIKey is VFWKQYKWRPYEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-3-17(4-2)14-9-7-13(8-10-14)15(19)16-11-5-6-12-18/h7-10,18H,3-6,11-12H2,1-2H3,(H,16,19).
What are the key properties of 4-(diethylamino)-N-(4-hydroxybutyl)benzamide?
4-(diethylamino)-N-(4-hydroxybutyl)benzamide has a molecular weight of 264.37 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-(4-hydroxybutyl)benzamide is sourced from PubChem (CID 106843290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).