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

C12H17NO5 — CID 79726174

IUPACN-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(OC)OC)cc1O
InChIInChI=1S/C12H17NO5/c1-16-10-5-4-8(6-9(10)14)12(15)13-7-11(17-2)18-3/h4-6,11,14H,7H2,1-3H3,(H,13,15)
InChIKeyCJMIZKRCYOHVTI-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.75
Rot. Bonds6

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

N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 79726174) has the molecular formula C12H17NO5 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
PubChem CID79726174
Molecular FormulaC12H17NO5
Molecular Weight255.27 g/mol
Exact Mass255.11
IUPAC NameN-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(OC)OC)cc1O
InChIInChI=1S/C12H17NO5/c1-16-10-5-4-8(6-9(10)14)12(15)13-7-11(17-2)18-3/h4-6,11,14H,7H2,1-3H3,(H,13,15)
InChIKeyCJMIZKRCYOHVTI-UHFFFAOYSA-N
XLogP0.75
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.75
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-diethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726717
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 115674974
N-(2-amino-3-ethylpentyl)-3-hydroxy-4-methoxybenzamide
CID 106285822
N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 107157421
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
3-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzamide
CID 103729015
N-(2,2-dimethoxyethyl)-3-hydroxybenzamide
CID 60653076
N-(2,2-dimethoxyethyl)-2-hydroxy-6-methoxybenzamide
CID 84579085
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 114151462
3-hydroxy-4-methoxy-N-[2-(propylamino)ethyl]benzamide
CID 79733240

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide (CID 79726174) is N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC(OC)OC)cc1O.
What is the InChIKey of N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is CJMIZKRCYOHVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5/c1-16-10-5-4-8(6-9(10)14)12(15)13-7-11(17-2)18-3/h4-6,11,14H,7H2,1-3H3,(H,13,15).
What are the key properties of N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide?
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 255.27 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 79726174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).