N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide

C12H17N3O5 — CID 90061491

IUPACN-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NN)ccc1OCCO
InChIInChI=1S/C12H17N3O5/c1-19-10-6-8(2-3-9(10)20-5-4-16)12(18)14-7-11(17)15-13/h2-3,6,16H,4-5,7,13H2,1H3,(H,14,18)(H,15,17)
InChIKeyYCIONXATTVWDRY-UHFFFAOYSA-N
MW283.28 g/mol
LogP-1.21
Rot. Bonds7

About N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 90061491) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide
PubChem CID90061491
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC NameN-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NN)ccc1OCCO
InChIInChI=1S/C12H17N3O5/c1-19-10-6-8(2-3-9(10)20-5-4-16)12(18)14-7-11(17)15-13/h2-3,6,16H,4-5,7,13H2,1H3,(H,14,18)(H,15,17)
InChIKeyYCIONXATTVWDRY-UHFFFAOYSA-N
XLogP-1.21
TPSA122.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-4-butoxy-3-methoxybenzamide
CID 9295314
propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 46526157
3,4-dimethoxy-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 51166529
3,4-dimethoxy-N-[2-oxo-2-(prop-2-enylamino)ethyl]benzamide
CID 35018344
3-amino-4-methoxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]benzamide
CID 115597601
N-[2-[2-(dimethylamino)ethylamino]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 112991429
N-(2-aminooxyethyl)-3,4-dimethoxybenzamide
CID 92931840
4-(2-hydrazinyl-2-oxoethoxy)-3-methoxybenzamide
CID 55214761
methyl 3-methoxy-4-[3-(2-methoxy-4-methoxycarbonylphenoxy)propoxy]benzoate
CID 15167932
N-[2-[6-(2,4-difluorophenyl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
CID 90061780
1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-4,4-dimethylpentane-1,3-dione
CID 139666594
N-(2-amino-2-methylpropyl)-4-butoxy-3-methoxybenzamide
CID 119628351

Frequently Asked Questions

What is the IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The IUPAC name of N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 90061491) is N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The canonical SMILES for N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)NN)ccc1OCCO.
What is the InChIKey of N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide?
The InChIKey is YCIONXATTVWDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-19-10-6-8(2-3-9(10)20-5-4-16)12(18)14-7-11(17)15-13/h2-3,6,16H,4-5,7,13H2,1H3,(H,14,18)(H,15,17).
What are the key properties of N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide?
N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 283.28 g/mol, XLogP of -1.21, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydrazinyl-2-oxoethyl)-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 90061491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).