3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide

C13H20N2O3 — CID 79733240

IUPAC3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C13H20N2O3/c1-3-6-14-7-8-15-13(17)10-4-5-12(18-2)11(16)9-10/h4-5,9,14,16H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyOVPYZZGWDQAXFX-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.13
Rot. Bonds7

About 3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide

3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide (PubChem CID 79733240) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
PubChem CID79733240
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1ccc(OC)c(O)c1
InChIInChI=1S/C13H20N2O3/c1-3-6-14-7-8-15-13(17)10-4-5-12(18-2)11(16)9-10/h4-5,9,14,16H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyOVPYZZGWDQAXFX-UHFFFAOYSA-N
XLogP1.13
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
3,4-dihydroxy-N-[2-(propylamino)ethyl]benzamide
CID 107728714
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
3,4-diethoxy-N-[2-(propylamino)ethyl]benzamide
CID 62658818
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[2-(ethylamino)ethyl]-3,4-dimethoxybenzamide
CID 55100526
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500
N-[2-(4-aminophenyl)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79737144
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
N-hexan-3-yl-3-hydroxy-4-methoxybenzamide
CID 79672456
N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726717

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide?
The IUPAC name of 3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide (CID 79733240) is 3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide?
The canonical SMILES for 3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide is CCCNCCNC(=O)c1ccc(OC)c(O)c1.
What is the InChIKey of 3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide?
The InChIKey is OVPYZZGWDQAXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-3-6-14-7-8-15-13(17)10-4-5-12(18-2)11(16)9-10/h4-5,9,14,16H,3,6-8H2,1-2H3,(H,15,17).
What are the key properties of 3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide?
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide has a molecular weight of 252.31 g/mol, XLogP of 1.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 79733240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).