2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate

C19H19N2O5- — CID 9214754

IUPAC2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
SMILESCCOc1ccc(C(=O)N/N=C(/C)c2ccc(OCC(=O)[O-])cc2)cc1
InChIInChI=1S/C19H20N2O5/c1-3-25-16-10-6-15(7-11-16)19(24)21-20-13(2)14-4-8-17(9-5-14)26-12-18(22)23/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23)/p-1/b20-13-
InChIKeyDIBGDYCMXYWKAA-MOSHPQCFSA-M
MW355.37 g/mol
LogP1.37
Rot. Bonds8

About 2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate

2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate (PubChem CID 9214754) has the molecular formula C19H19N2O5- and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
PubChem CID9214754
Molecular FormulaC19H19N2O5-
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
SMILESCCOc1ccc(C(=O)N/N=C(/C)c2ccc(OCC(=O)[O-])cc2)cc1
InChIInChI=1S/C19H20N2O5/c1-3-25-16-10-6-15(7-11-16)19(24)21-20-13(2)14-4-8-17(9-5-14)26-12-18(22)23/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23)/p-1/b20-13-
InChIKeyDIBGDYCMXYWKAA-MOSHPQCFSA-M
XLogP1.37
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate
CID 9058737
4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide
CID 7955371
3-chloro-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 4065156
N-[(Z)-1-[4-(cyclohexanecarbonylamino)phenyl]ethylideneamino]-4-ethoxybenzamide
CID 6390821
4-ethoxy-N-[1-(5-methylfuran-2-yl)ethylideneamino]benzamide
CID 3656124
4-ethoxy-N-(3-methylbutan-2-ylideneamino)benzamide
CID 4315276

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate (CID 9214754) is 2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate is CCOc1ccc(C(=O)N/N=C(/C)c2ccc(OCC(=O)[O-])cc2)cc1.
What is the InChIKey of 2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
The InChIKey is DIBGDYCMXYWKAA-MOSHPQCFSA-M. The full InChI is InChI=1S/C19H20N2O5/c1-3-25-16-10-6-15(7-11-16)19(24)21-20-13(2)14-4-8-17(9-5-14)26-12-18(22)23/h4-11H,3,12H2,1-2H3,(H,21,24)(H,22,23)/p-1/b20-13-.
What are the key properties of 2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate?
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate has a molecular weight of 355.37 g/mol, XLogP of 1.37, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate is sourced from PubChem (CID 9214754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).