2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate

C14H16N3O5- — CID 8989742

IUPAC2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C14H17N3O5/c1-2-7-15-13(20)14(21)17-16-8-10-3-5-11(6-4-10)22-9-12(18)19/h3-6,8H,2,7,9H2,1H3,(H,15,20)(H,17,21)(H,18,19)/p-1/b16-8-
InChIKeyMHUCZTQYEUWIAR-PXNMLYILSA-M
MW306.30 g/mol
LogP-1.21
Rot. Bonds7

About 2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate

2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate (PubChem CID 8989742) has the molecular formula C14H16N3O5- and a molecular weight of 306.30 g/mol. Its IUPAC name is 2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
PubChem CID8989742
Molecular FormulaC14H16N3O5-
Molecular Weight306.30 g/mol
Exact Mass306.11
IUPAC Name2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
SMILESCCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C14H17N3O5/c1-2-7-15-13(20)14(21)17-16-8-10-3-5-11(6-4-10)22-9-12(18)19/h3-6,8H,2,7,9H2,1H3,(H,15,20)(H,17,21)(H,18,19)/p-1/b16-8-
InChIKeyMHUCZTQYEUWIAR-PXNMLYILSA-M
XLogP-1.21
TPSA119.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.30
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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

2-[2-ethoxy-4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8990059
N'-[(Z)-(4-nitrophenyl)methylideneamino]-N-propyloxamide
CID 5363154
N-(2-methoxyethyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988888
N'-[(Z)-[4-[2-(5-chloro-2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-propyloxamide
CID 126157880
N-butyl-N'-[(Z)-(4-prop-2-enoxyphenyl)methylideneamino]oxamide
CID 8989325
2-[4-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989780
N'-[(E)-(4-ethoxyphenyl)methylideneamino]-N-ethyloxamide
CID 21212730
2-[4-[(Z)-[[2-(butylamino)-2-oxoacetyl]hydrazinylidene]methyl]-2-chlorophenoxy]acetate
CID 8989815
N'-[(Z)-[3-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-propyloxamide
CID 8990323
N'-[(Z)-[4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]methylideneamino]-N-propyloxamide
CID 126159130
N-propyl-N'-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]oxamide
CID 126006156
2-[4-[(Z)-[[2-(2-chloroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7016859

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate (CID 8989742) is 2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate is CCCNC(=O)C(=O)N/N=C\c1ccc(OCC(=O)[O-])cc1.
What is the InChIKey of 2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
The InChIKey is MHUCZTQYEUWIAR-PXNMLYILSA-M. The full InChI is InChI=1S/C14H17N3O5/c1-2-7-15-13(20)14(21)17-16-8-10-3-5-11(6-4-10)22-9-12(18)19/h3-6,8H,2,7,9H2,1H3,(H,15,20)(H,17,21)(H,18,19)/p-1/b16-8-.
What are the key properties of 2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate?
2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate has a molecular weight of 306.30 g/mol, XLogP of -1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-[[2-oxo-2-(propylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetate is sourced from PubChem (CID 8989742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).