2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate

C14H16N3O5- — CID 7410200

IUPAC2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
SMILESCOCCNC(=O)CC(=O)N/N=C/c1ccccc1C(=O)[O-]
InChIInChI=1S/C14H17N3O5/c1-22-7-6-15-12(18)8-13(19)17-16-9-10-4-2-3-5-11(10)14(20)21/h2-5,9H,6-8H2,1H3,(H,15,18)(H,17,19)(H,20,21)/p-1/b16-9+
InChIKeyDHYXHVGZPIPWPS-CXUHLZMHSA-M
MW306.30 g/mol
LogP-1.35
Rot. Bonds8

About 2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate

2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate (PubChem CID 7410200) has the molecular formula C14H16N3O5- and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Name2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
PubChem CID7410200
Molecular FormulaC14H16N3O5-
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC Name2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
SMILESCOCCNC(=O)CC(=O)N/N=C/c1ccccc1C(=O)[O-]
InChIInChI=1S/C14H17N3O5/c1-22-7-6-15-12(18)8-13(19)17-16-9-10-4-2-3-5-11(10)14(20)21/h2-5,9H,6-8H2,1H3,(H,15,18)(H,17,19)(H,20,21)/p-1/b16-9+
InChIKeyDHYXHVGZPIPWPS-CXUHLZMHSA-M
XLogP-1.35
TPSA119.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-N'-[(2-nitrophenyl)methylideneamino]propanediamide
CID 3511498
2-[[[5-[(2Z)-2-[(2-carboxylatophenyl)methylidene]hydrazinyl]-5-oxopentanoyl]hydrazinylidene]methyl]benzoate
CID 6994325
methyl 3-[[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
CID 3121387
N'-[(4-chlorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 4174903
methyl 4-[[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate
CID 3105043
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 6164634
N'-[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 94847587
2-[2-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]phenoxy]acetate
CID 8001644
N-(2-methoxyethyl)-N'-[(E)-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]propanediamide
CID 94837279
1-N,2-N-bis(2-methoxyethyl)benzene-1,2-dicarboxamide
CID 4574574
N'-[[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methoxyethyl)propanediamide
CID 3131650
3-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoate
CID 135683195

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of 2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate (CID 7410200) is 2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for 2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for 2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate is COCCNC(=O)CC(=O)N/N=C/c1ccccc1C(=O)[O-].
What is the InChIKey of 2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate?
The InChIKey is DHYXHVGZPIPWPS-CXUHLZMHSA-M. The full InChI is InChI=1S/C14H17N3O5/c1-22-7-6-15-12(18)8-13(19)17-16-9-10-4-2-3-5-11(10)14(20)21/h2-5,9H,6-8H2,1H3,(H,15,18)(H,17,19)(H,20,21)/p-1/b16-9+.
What are the key properties of 2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate?
2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate has a molecular weight of 306.30 g/mol, XLogP of -1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[[3-(2-methoxyethylamino)-3-oxopropanoyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 7410200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).