[[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate

C24H24N2O4 — CID 173480206

IUPAC[[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate
SMILESCCOc1cc(CC)ccc1-c1ccccc1C(N)=NOC(=O)Oc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-3-17-14-15-20(22(16-17)28-4-2)19-12-8-9-13-21(19)23(25)26-30-24(27)29-18-10-6-5-7-11-18/h5-16H,3-4H2,1-2H3,(H2,25,26)
InChIKeyLEQHJQVBOXXJGQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP5.15
Rot. Bonds7

About [[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate

[[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate (PubChem CID 173480206) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is [[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate.

Molecular Properties

Compound Name[[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate
PubChem CID173480206
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name[[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate
SMILESCCOc1cc(CC)ccc1-c1ccccc1C(N)=NOC(=O)Oc1ccccc1
InChIInChI=1S/C24H24N2O4/c1-3-17-14-15-20(22(16-17)28-4-2)19-12-8-9-13-21(19)23(25)26-30-24(27)29-18-10-6-5-7-11-18/h5-16H,3-4H2,1-2H3,(H2,25,26)
InChIKeyLEQHJQVBOXXJGQ-UHFFFAOYSA-N
XLogP5.15
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxy-4-ethylphenyl) 2-ethoxybenzoate
CID 176892639
[4-(diethylamino)-2-ethoxyphenyl] 2-[4-(diethylamino)-2-ethoxyphenyl]benzoate
CID 129099505
(2-ethoxyphenyl)methyl phenyl carbonate
CID 69009806
benzamide;phenyl 4-ethyl-2-phenylbenzoate
CID 175059284
(4-benzoylphenyl) 2-ethoxybenzoate
CID 1234623
[3-(2-phenylethoxycarbonyl)phenyl] 2-ethoxybenzoate
CID 17162277
2-(2-ethoxyphenyl)-5-fluorobenzoic acid
CID 55120835
1-(2-ethoxyphenyl)-2-(3-ethylphenoxy)ethanone
CID 43799191
methyl 5-amino-2-(2-ethoxyphenyl)benzoate
CID 168665379
2-(3,4-diethoxyphenyl)-N'-(2-phenoxyacetyl)acetohydrazide
CID 3346221
[3-(3-phenylpropoxycarbonyl)phenyl] 2-ethoxybenzoate
CID 17161444
(2-methoxyphenyl) 3-ethoxynaphthalene-2-carboxylate
CID 24505759

Frequently Asked Questions

What is the IUPAC name of [[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate?
The IUPAC name of [[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate (CID 173480206) is [[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate.
What is the SMILES notation for [[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate?
The canonical SMILES for [[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate is CCOc1cc(CC)ccc1-c1ccccc1C(N)=NOC(=O)Oc1ccccc1.
What is the InChIKey of [[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate?
The InChIKey is LEQHJQVBOXXJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-3-17-14-15-20(22(16-17)28-4-2)19-12-8-9-13-21(19)23(25)26-30-24(27)29-18-10-6-5-7-11-18/h5-16H,3-4H2,1-2H3,(H2,25,26).
What are the key properties of [[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate?
[[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate has a molecular weight of 404.47 g/mol, XLogP of 5.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[amino-[2-(2-ethoxy-4-ethylphenyl)phenyl]methylidene]amino] phenyl carbonate is sourced from PubChem (CID 173480206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).