2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate

C20H17N2O5- — CID 9464288

IUPAC2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate
SMILESC/C(=N/NC(=O)c1oc2ccccc2c1C)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C20H18N2O5/c1-12-16-5-3-4-6-17(16)27-19(12)20(25)22-21-13(2)14-7-9-15(10-8-14)26-11-18(23)24/h3-10H,11H2,1-2H3,(H,22,25)(H,23,24)/p-1/b21-13-
InChIKeyOAZWVFYPFWLWCN-BKUYFWCQSA-M
MW365.37 g/mol
LogP2.02
Rot. Bonds6

About 2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate

2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate (PubChem CID 9464288) has the molecular formula C20H17N2O5- and a molecular weight of 365.37 g/mol. Its IUPAC name is 2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate.

Molecular Properties

Compound Name2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate
PubChem CID9464288
Molecular FormulaC20H17N2O5-
Molecular Weight365.37 g/mol
Exact Mass365.11
IUPAC Name2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate
SMILESC/C(=N/NC(=O)c1oc2ccccc2c1C)c1ccc(OCC(=O)[O-])cc1
InChIInChI=1S/C20H18N2O5/c1-12-16-5-3-4-6-17(16)27-19(12)20(25)22-21-13(2)14-7-9-15(10-8-14)26-11-18(23)24/h3-10H,11H2,1-2H3,(H,22,25)(H,23,24)/p-1/b21-13-
InChIKeyOAZWVFYPFWLWCN-BKUYFWCQSA-M
XLogP2.02
TPSA103.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 52.02
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'}

Analyze 2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]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

N-[(Z)-1-[4-(dimethylamino)phenyl]ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9259414
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
methyl 4-[[1-(3-methyl-1-benzofuran-2-yl)-2-phenoxyethylidene]amino]benzoate
CID 170986291
3-methyl-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]-1-benzofuran-2-carboxamide
CID 9464531
(4-ethoxyphenyl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 28880617
N-[(E)-1-(2,4-dimethyl-1H-pyrrol-3-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 135800336
3-methyl-N-[(Z)-1-(2-oxochromen-3-yl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 9464399
N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464723
2-[3-[(Z)-N-benzamido-C-methylcarbonimidoyl]phenoxy]acetate
CID 9058737
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
N-[(Z)-1-(5-amino-3-methyl-1,2-thiazol-4-yl)ethylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9397289
N-[(E)-1-(4-ethoxyphenyl)ethylideneamino]-1-benzofuran-2-carboxamide
CID 7431748

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate?
The IUPAC name of 2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate (CID 9464288) is 2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate.
What is the SMILES notation for 2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate?
The canonical SMILES for 2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate is C/C(=N/NC(=O)c1oc2ccccc2c1C)c1ccc(OCC(=O)[O-])cc1.
What is the InChIKey of 2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate?
The InChIKey is OAZWVFYPFWLWCN-BKUYFWCQSA-M. The full InChI is InChI=1S/C20H18N2O5/c1-12-16-5-3-4-6-17(16)27-19(12)20(25)22-21-13(2)14-7-9-15(10-8-14)26-11-18(23)24/h3-10H,11H2,1-2H3,(H,22,25)(H,23,24)/p-1/b21-13-.
What are the key properties of 2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate?
2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate has a molecular weight of 365.37 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-C-methyl-N-[(3-methyl-1-benzofuran-2-carbonyl)amino]carbonimidoyl]phenoxy]acetate is sourced from PubChem (CID 9464288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).