2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid

C19H20N2O6 — CID 9232127

IUPAC2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(OCC(=O)O)cc2)cc1OC
InChIInChI=1S/C19H20N2O6/c1-12(13-4-7-15(8-5-13)27-11-18(22)23)20-21-19(24)14-6-9-16(25-2)17(10-14)26-3/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)/b20-12-
InChIKeyNINUECCDESQALP-NDENLUEZSA-N
MW372.38 g/mol
LogP2.32
Rot. Bonds8

About 2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid

2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid (PubChem CID 9232127) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
PubChem CID9232127
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
SMILESCOc1ccc(C(=O)N/N=C(/C)c2ccc(OCC(=O)O)cc2)cc1OC
InChIInChI=1S/C19H20N2O6/c1-12(13-4-7-15(8-5-13)27-11-18(22)23)20-21-19(24)14-6-9-16(25-2)17(10-14)26-3/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)/b20-12-
InChIKeyNINUECCDESQALP-NDENLUEZSA-N
XLogP2.32
TPSA106.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.32
H-Bond Donors ≤ 52
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

2-[4-[(Z)-N-[(3,5-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9460657
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
2-[3-[(Z)-C-methyl-N-[(3,4,5-trimethoxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9231733
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9016230
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
2-[4-[(E)-[(3-ethoxy-4-methoxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 126327597
2-[4-[(Z)-C-methyl-N-(thiophene-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9176423
2-[4-[(Z)-C-methyl-N-(pyridine-2-carbonylamino)carbonimidoyl]phenoxy]acetic acid
CID 9015476
2-[4-[(Z)-N-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9316726
3,4-dimethoxy-N-[(Z)-1-(4-piperidin-1-ylphenyl)ethylideneamino]benzamide
CID 9232157

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid (CID 9232127) is 2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid is COc1ccc(C(=O)N/N=C(/C)c2ccc(OCC(=O)O)cc2)cc1OC.
What is the InChIKey of 2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid?
The InChIKey is NINUECCDESQALP-NDENLUEZSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-12(13-4-7-15(8-5-13)27-11-18(22)23)20-21-19(24)14-6-9-16(25-2)17(10-14)26-3/h4-10H,11H2,1-3H3,(H,21,24)(H,22,23)/b20-12-.
What are the key properties of 2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid?
2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid has a molecular weight of 372.38 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-N-[(3,4-dimethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetic acid is sourced from PubChem (CID 9232127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).