4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate

C13H16N2O5 — CID 44543072

IUPAC4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
SMILESCOC(=O)CCC(=O)O/N=C(\N)c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O5/c1-18-10-5-3-9(4-6-10)13(14)15-20-12(17)8-7-11(16)19-2/h3-6H,7-8H2,1-2H3,(H2,14,15)
InChIKeyADRWVLLONKHQLF-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.81
Rot. Bonds6

About 4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate

4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate (PubChem CID 44543072) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate.

Molecular Properties

Compound Name4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
PubChem CID44543072
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
SMILESCOC(=O)CCC(=O)O/N=C(\N)c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O5/c1-18-10-5-3-9(4-6-10)13(14)15-20-12(17)8-7-11(16)19-2/h3-6H,7-8H2,1-2H3,(H2,14,15)
InChIKeyADRWVLLONKHQLF-UHFFFAOYSA-N
XLogP0.81
TPSA100.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2-thiophen-2-ylacetate
CID 6242299
[[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 2911615
[[amino(pyridin-1-ium-4-yl)methylidene]amino] 4-methoxybenzoate
CID 135432059
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
4-[(Z)-[amino-[4-[[4-[(Z)-N'-(3-carboxypropanoyloxy)carbamimidoyl]phenoxy]methoxy]phenyl]methylidene]amino]oxy-4-oxobutanoic acid;methane
CID 172938201
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 4-iodobenzoate
CID 5349115
[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 17373666
[[amino-(4-methoxyphenyl)methylidene]amino] 2-(4-bromo-3-methylphenoxy)acetate
CID 2885077
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino]urea
CID 23274048
[[amino-(4-methoxyphenyl)methylidene]amino] 2-[benzenesulfonyl(methyl)amino]acetate
CID 2219895
methyl 4-formyl-5,5-bis(4-methoxyphenyl)pent-4-enoate
CID 86169372
[[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dimethoxybenzoate
CID 3296382

Frequently Asked Questions

What is the IUPAC name of 4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate?
The IUPAC name of 4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate (CID 44543072) is 4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate.
What is the SMILES notation for 4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate?
The canonical SMILES for 4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate is COC(=O)CCC(=O)O/N=C(\N)c1ccc(OC)cc1.
What is the InChIKey of 4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate?
The InChIKey is ADRWVLLONKHQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-18-10-5-3-9(4-6-10)13(14)15-20-12(17)8-7-11(16)19-2/h3-6H,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate?
4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate has a molecular weight of 280.28 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate is sourced from PubChem (CID 44543072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).