2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate

C17H15N2O4- — CID 9058737

IUPAC2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate
SMILESC/C(=N/NC(=O)c1ccccc1)c1cccc(OCC(=O)[O-])c1
InChIInChI=1S/C17H16N2O4/c1-12(18-19-17(22)13-6-3-2-4-7-13)14-8-5-9-15(10-14)23-11-16(20)21/h2-10H,11H2,1H3,(H,19,22)(H,20,21)/p-1/b18-12-
InChIKeyBPTFFOBERKYNAO-PDGQHHTCSA-M
MW311.32 g/mol
LogP0.97
Rot. Bonds6

About 2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate

2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate (PubChem CID 9058737) has the molecular formula C17H15N2O4- and a molecular weight of 311.32 g/mol. Its IUPAC name is 2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate
PubChem CID9058737
Molecular FormulaC17H15N2O4-
Molecular Weight311.32 g/mol
Exact Mass311.10
IUPAC Name2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate
SMILESC/C(=N/NC(=O)c1ccccc1)c1cccc(OCC(=O)[O-])c1
InChIInChI=1S/C17H16N2O4/c1-12(18-19-17(22)13-6-3-2-4-7-13)14-8-5-9-15(10-14)23-11-16(20)21/h2-10H,11H2,1H3,(H,19,22)(H,20,21)/p-1/b18-12-
InChIKeyBPTFFOBERKYNAO-PDGQHHTCSA-M
XLogP0.97
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate 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

2-[3-[(Z)-N-[(2-bromobenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9016439
2-[3-[(Z)-C-methyl-N-[[4-(phenoxymethyl)benzoyl]amino]carbonimidoyl]phenoxy]acetic acid
CID 8518059
2-[3-[(Z)-C-methyl-N-[(4-propan-2-yloxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9215286
2-[3-[(Z)-C-methyl-N-[(3,4,5-trimethoxybenzoyl)amino]carbonimidoyl]phenoxy]acetic acid
CID 9231733
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
2-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenoxy]acetate
CID 9074352
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
3,5-dimethoxy-N-[(Z)-1-(3-methoxyphenyl)ethylideneamino]benzamide
CID 9461084
N-[1-(3-methoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 4185393
3,5-dihydroxy-N-[(E)-1-(3-prop-2-enoxyphenyl)ethylideneamino]benzamide
CID 17126917
N-[(Z)-1-(4-phenoxyphenyl)ethylideneamino]benzamide
CID 5418111

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate?
The IUPAC name of 2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate (CID 9058737) is 2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate.
What is the SMILES notation for 2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate?
The canonical SMILES for 2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate is C/C(=N/NC(=O)c1ccccc1)c1cccc(OCC(=O)[O-])c1.
What is the InChIKey of 2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate?
The InChIKey is BPTFFOBERKYNAO-PDGQHHTCSA-M. The full InChI is InChI=1S/C17H16N2O4/c1-12(18-19-17(22)13-6-3-2-4-7-13)14-8-5-9-15(10-14)23-11-16(20)21/h2-10H,11H2,1H3,(H,19,22)(H,20,21)/p-1/b18-12-.
What are the key properties of 2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate?
2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate has a molecular weight of 311.32 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate is sourced from PubChem (CID 9058737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).