N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide

C14H21NO5 — CID 79726717

IUPACN-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide
SMILESCCOC(CNC(=O)c1ccc(OC)c(O)c1)OCC
InChIInChI=1S/C14H21NO5/c1-4-19-13(20-5-2)9-15-14(17)10-6-7-12(18-3)11(16)8-10/h6-8,13,16H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyHAVZODHYGQNTAP-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.53
Rot. Bonds8

About N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide

N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 79726717) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide
PubChem CID79726717
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC NameN-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide
SMILESCCOC(CNC(=O)c1ccc(OC)c(O)c1)OCC
InChIInChI=1S/C14H21NO5/c1-4-19-13(20-5-2)9-15-14(17)10-6-7-12(18-3)11(16)8-10/h6-8,13,16H,4-5,9H2,1-3H3,(H,15,17)
InChIKeyHAVZODHYGQNTAP-UHFFFAOYSA-N
XLogP1.53
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-(2-amino-3-ethylpentyl)-3-hydroxy-4-methoxybenzamide
CID 106285822
3-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzamide
CID 103729015
N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 107157421
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 115674974
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240
N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
4-bromo-N-(2,2-diethoxyethyl)-3-fluorobenzamide
CID 79547974
3-amino-N-(2,2-diethoxyethyl)benzamide
CID 79547967

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide (CID 79726717) is N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide is CCOC(CNC(=O)c1ccc(OC)c(O)c1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is HAVZODHYGQNTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-4-19-13(20-5-2)9-15-14(17)10-6-7-12(18-3)11(16)8-10/h6-8,13,16H,4-5,9H2,1-3H3,(H,15,17).
What are the key properties of N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide?
N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 283.32 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79726717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).