N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide

C17H18N2O5 — CID 46665369

IUPACN-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccccc2O)cc1OC
InChIInChI=1S/C17H18N2O5/c1-23-14-8-7-11(9-15(14)24-2)17(22)18-10-16(21)19-12-5-3-4-6-13(12)20/h3-9,20H,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyHQPJTWXAZGFYEP-UHFFFAOYSA-N
MW330.34 g/mol
LogP1.78
Rot. Bonds6

About N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 46665369) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID46665369
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC NameN-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)Nc2ccccc2O)cc1OC
InChIInChI=1S/C17H18N2O5/c1-23-14-8-7-11(9-15(14)24-2)17(22)18-10-16(21)19-12-5-3-4-6-13(12)20/h3-9,20H,10H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyHQPJTWXAZGFYEP-UHFFFAOYSA-N
XLogP1.78
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27157902
N-[2-[(2Z)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136732655
N-[2-(4-chloro-2-methoxy-5-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 113001595
N-[2-(2-bromoanilino)-2-oxoethyl]-3-methoxy-4-methylbenzamide
CID 9089623
N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112996997
N-[2-(benzylamino)-2-oxoethyl]-3-methoxy-4-[2-(2-methoxyanilino)-2-oxoethoxy]benzamide
CID 55676193
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 112998555
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
3,4-diethoxy-N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]benzamide
CID 17457142
4-bromo-N-[2-(2-ethylanilino)-2-oxoethyl]-3,5-dimethoxybenzamide
CID 26707249
N-[2-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 135733837

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide (CID 46665369) is N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)Nc2ccccc2O)cc1OC.
What is the InChIKey of N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is HQPJTWXAZGFYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c1-23-14-8-7-11(9-15(14)24-2)17(22)18-10-16(21)19-12-5-3-4-6-13(12)20/h3-9,20H,10H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 330.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyanilino)-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 46665369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).