[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate

C17H18N2O3 — CID 3130761

IUPAC[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
SMILESCOc1ccc(CC(N)=NOC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-21-15-9-7-14(8-10-15)11-16(18)19-22-17(20)12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,18,19)
InChIKeyWCRGYCASNQYQHE-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.30
Rot. Bonds6

About [[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate

[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate (PubChem CID 3130761) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is [[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate.

Molecular Properties

Compound Name[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
PubChem CID3130761
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate
SMILESCOc1ccc(CC(N)=NOC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C17H18N2O3/c1-21-15-9-7-14(8-10-15)11-16(18)19-22-17(20)12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,18,19)
InChIKeyWCRGYCASNQYQHE-UHFFFAOYSA-N
XLogP2.30
TPSA73.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate 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

[(E)-(1-amino-2-phenylethylidene)amino] propanoate
CID 100802192
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-naphthalen-2-yloxyacetate
CID 5348508
[[amino(pyridin-1-ium-2-yl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 135479158
[[amino-(4-bromophenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 2911615
[(E)-[1-amino-2-(4-chlorophenyl)ethylidene]amino] 4-methoxybenzoate
CID 6279155
[(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenyl)acetate
CID 17373666
1-(4-methoxyphenyl)propan-2-yl 2-phenylacetate
CID 86053966
[amino-(4-methoxyphenyl)methylidene]-(2-phenylacetyl)oxyazanium
CID 3452210
[(Z)-[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 3,4,5-trimethoxybenzoate
CID 91972727
[[1-amino-2-(4-chlorophenyl)ethylidene]amino] 2-(3-methoxyphenoxy)acetate
CID 4994307
(4-methoxyphenyl) 2-(4-methoxyphenyl)acetate
CID 914131
[(Z)-4-phenylmethoxybut-2-enyl] 2-(4-methoxyphenyl)acetate
CID 101184767

Frequently Asked Questions

What is the IUPAC name of [[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate?
The IUPAC name of [[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate (CID 3130761) is [[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate.
What is the SMILES notation for [[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate?
The canonical SMILES for [[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate is COc1ccc(CC(N)=NOC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate?
The InChIKey is WCRGYCASNQYQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-21-15-9-7-14(8-10-15)11-16(18)19-22-17(20)12-13-5-3-2-4-6-13/h2-10H,11-12H2,1H3,(H2,18,19).
What are the key properties of [[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate?
[[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate has a molecular weight of 298.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[1-amino-2-(4-methoxyphenyl)ethylidene]amino] 2-phenylacetate is sourced from PubChem (CID 3130761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).