4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide

C18H30N2O3 — CID 559588

IUPAC4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCCN(CC)CC)c(O)c1
InChIInChI=1S/C18H30N2O3/c1-4-7-13-23-15-9-10-16(17(21)14-15)18(22)19-11-8-12-20(5-2)6-3/h9-10,14,21H,4-8,11-13H2,1-3H3,(H,19,22)
InChIKeyVEBUDDDYMWLVBR-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.03
Rot. Bonds11

About 4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide

4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide (PubChem CID 559588) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide
PubChem CID559588
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide
SMILESCCCCOc1ccc(C(=O)NCCCN(CC)CC)c(O)c1
InChIInChI=1S/C18H30N2O3/c1-4-7-13-23-15-9-10-16(17(21)14-15)18(22)19-11-8-12-20(5-2)6-3/h9-10,14,21H,4-8,11-13H2,1-3H3,(H,19,22)
InChIKeyVEBUDDDYMWLVBR-UHFFFAOYSA-N
XLogP3.03
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[(4-butoxy-2-hydroxybenzoyl)amino]ethyldisulfanyl]propanoic acid
CID 167771121
1-[4-[2-(diethylamino)ethoxy]-2-hydroxyphenyl]ethanone
CID 24383
3-(4-butoxyphenyl)-N-[3-(diethylamino)propyl]benzamide
CID 73295422
2-hydroxy-4-methoxy-N-(3-propoxypropyl)benzamide
CID 82943037
2-hydroxy-4-methoxy-N-(3-methoxypropyl)benzamide
CID 43090058
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
N-(3-butoxypropyl)-4-fluoro-2-hydroxybenzamide
CID 103829628
2,4-diamino-N-[3-(diethylamino)propyl]benzamide
CID 21398349
N-[2-(diethylamino)ethyl]-2-hydroxy-4-(methylamino)benzamide
CID 11514505
(E)-1-[4-[6-(diethylamino)hexoxy]-2-hydroxyphenyl]-3-[4-[6-(diethylamino)hexoxy]phenyl]prop-2-en-1-one
CID 155510534
N-[3-(diethylamino)propyl]-3,4-dihydroxybenzamide
CID 103956220
2-hydroxy-4-methoxy-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 103604676

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide?
The IUPAC name of 4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide (CID 559588) is 4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide.
What is the SMILES notation for 4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide?
The canonical SMILES for 4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide is CCCCOc1ccc(C(=O)NCCCN(CC)CC)c(O)c1.
What is the InChIKey of 4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide?
The InChIKey is VEBUDDDYMWLVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-4-7-13-23-15-9-10-16(17(21)14-15)18(22)19-11-8-12-20(5-2)6-3/h9-10,14,21H,4-8,11-13H2,1-3H3,(H,19,22).
What are the key properties of 4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide?
4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide has a molecular weight of 322.45 g/mol, XLogP of 3.03, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[3-(diethylamino)propyl]-2-hydroxybenzamide is sourced from PubChem (CID 559588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).