[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate

C18H20N2O5 — CID 17373666

IUPAC[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O/N=C(/N)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N2O5/c1-22-14-7-4-12(5-8-14)10-17(21)25-20-18(19)13-6-9-15(23-2)16(11-13)24-3/h4-9,11H,10H2,1-3H3,(H2,19,20)
InChIKeyFHHOHIAKYLGKLG-UHFFFAOYSA-N
MW344.37 g/mol
LogP2.12
Rot. Bonds7

About [(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate

[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate (PubChem CID 17373666) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is [(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
PubChem CID17373666
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)O/N=C(/N)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H20N2O5/c1-22-14-7-4-12(5-8-14)10-17(21)25-20-18(19)13-6-9-15(23-2)16(11-13)24-3/h4-9,11H,10H2,1-3H3,(H2,19,20)
InChIKeyFHHOHIAKYLGKLG-UHFFFAOYSA-N
XLogP2.12
TPSA92.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.12
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'}

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Related Compounds

[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methylphenyl)acetate
CID 2944500
[[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 2911615
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-bromophenoxy)acetate
CID 2885626
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate
CID 2952954
[[amino(pyridin-1-ium-2-yl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 135479158
[4-(2-methoxy-2-oxoethyl)phenyl] 3,4-dimethoxybenzoate
CID 51536723
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
CID 3130761
4-O-[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 1-O-methyl butanedioate
CID 44543072
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate
CID 46500526
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(2-chlorophenoxy)acetate
CID 2903300
1-(3,4-dimethoxyphenyl)-2-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenyl]ethane-1,2-dione
CID 172869342
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7968901

Frequently Asked Questions

What is the IUPAC name of [(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate (CID 17373666) is [(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)O/N=C(/N)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of [(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate?
The InChIKey is FHHOHIAKYLGKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-22-14-7-4-12(5-8-14)10-17(21)25-20-18(19)13-6-9-15(23-2)16(11-13)24-3/h4-9,11H,10H2,1-3H3,(H2,19,20).
What are the key properties of [(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate?
[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate has a molecular weight of 344.37 g/mol, XLogP of 2.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 17373666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).