[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate

C19H22N2O6 — CID 2952954

IUPAC[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)ON=C(N)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22N2O6/c1-12(26-15-8-6-14(23-2)7-9-15)19(22)27-21-18(20)13-5-10-16(24-3)17(11-13)25-4/h5-12H,1-4H3,(H2,20,21)
InChIKeyOJSUXBXTZOUEKC-UHFFFAOYSA-N
MW374.39 g/mol
LogP2.34
Rot. Bonds8

About [[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate

[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate (PubChem CID 2952954) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is [[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate.

Molecular Properties

Compound Name[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate
PubChem CID2952954
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Name[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate
SMILESCOc1ccc(OC(C)C(=O)ON=C(N)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C19H22N2O6/c1-12(26-15-8-6-14(23-2)7-9-15)19(22)27-21-18(20)13-5-10-16(24-3)17(11-13)25-4/h5-12H,1-4H3,(H2,20,21)
InChIKeyOJSUXBXTZOUEKC-UHFFFAOYSA-N
XLogP2.34
TPSA101.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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'}

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Related Compounds

[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] (2S)-2-(3-chlorophenoxy)propanoate
CID 6343565
[(E)-[amino-(4-methoxyphenyl)methylidene]amino] (2S)-2-(4-bromophenoxy)propanoate
CID 6343633
[[amino-(4-nitrophenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate
CID 2952205
[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 17373666
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate
CID 46500526
[(E)-[amino-(3-methylphenyl)methylidene]amino] (2S)-2-phenoxypropanoate
CID 28922582
[[amino-(4-chlorophenyl)methylidene]amino] 2-(4-tert-butylphenoxy)propanoate
CID 2960848
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885626
[[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dimethoxybenzoate
CID 3296382
[[amino(phenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 2213299
methyl 4-[2-(3,4-dimethylphenoxy)propanoyloxy]-3-methoxybenzoate
CID 2900157
N'-[2-(4-acetylphenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 24554535

Frequently Asked Questions

What is the IUPAC name of [[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate?
The IUPAC name of [[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate (CID 2952954) is [[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate.
What is the SMILES notation for [[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate?
The canonical SMILES for [[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate is COc1ccc(OC(C)C(=O)ON=C(N)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of [[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate?
The InChIKey is OJSUXBXTZOUEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-12(26-15-8-6-14(23-2)7-9-15)19(22)27-21-18(20)13-5-10-16(24-3)17(11-13)25-4/h5-12H,1-4H3,(H2,20,21).
What are the key properties of [[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate?
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate has a molecular weight of 374.39 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate is sourced from PubChem (CID 2952954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).