ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate

C14H20N2O4 — CID 172625838

IUPACethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate
SMILESCCOC(=O)C(C)O/N=C(\C)c1cc(N)cc(OC)c1
InChIInChI=1S/C14H20N2O4/c1-5-19-14(17)10(3)20-16-9(2)11-6-12(15)8-13(7-11)18-4/h6-8,10H,5,15H2,1-4H3/b16-9+
InChIKeyVNJQIPBRVPWRTJ-CXUHLZMHSA-N
MW280.32 g/mol
LogP1.97
Rot. Bonds6

About ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate

ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate (PubChem CID 172625838) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate
PubChem CID172625838
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate
SMILESCCOC(=O)C(C)O/N=C(\C)c1cc(N)cc(OC)c1
InChIInChI=1S/C14H20N2O4/c1-5-19-14(17)10(3)20-16-9(2)11-6-12(15)8-13(7-11)18-4/h6-8,10H,5,15H2,1-4H3/b16-9+
InChIKeyVNJQIPBRVPWRTJ-CXUHLZMHSA-N
XLogP1.97
TPSA83.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-ethoxy-2-oxoethyl) 3-amino-5-methoxybenzoate
CID 81091460
3-amino-N-hexan-2-yl-5-methoxybenzamide
CID 81090278
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81092336
[2-(3-methylbutylamino)-2-oxoethyl] 3-amino-5-methoxybenzoate
CID 81093824
dimethyl 2-(1-ethoxy-1-oxopropan-2-yl)oxyiminopropanedioate
CID 23239497
ethyl 4-(3-amino-5-methoxyphenoxy)-3-methylbutanoate
CID 142476777
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-5-methoxybenzamide
CID 103106429
ethyl 3-amino-5-ethoxybenzoate
CID 58424919
(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115626344
2-propylsulfonylethyl 3-amino-5-methoxybenzoate
CID 106728853

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate?
The IUPAC name of ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate (CID 172625838) is ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate.
What is the SMILES notation for ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate?
The canonical SMILES for ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate is CCOC(=O)C(C)O/N=C(\C)c1cc(N)cc(OC)c1.
What is the InChIKey of ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate?
The InChIKey is VNJQIPBRVPWRTJ-CXUHLZMHSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-5-19-14(17)10(3)20-16-9(2)11-6-12(15)8-13(7-11)18-4/h6-8,10H,5,15H2,1-4H3/b16-9+.
What are the key properties of ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate?
ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate has a molecular weight of 280.32 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-1-(3-amino-5-methoxyphenyl)ethylideneamino]oxypropanoate is sourced from PubChem (CID 172625838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).