N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide

C18H18N2O4 — CID 90481683

IUPACN-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc2c(c1)OC/C2=N\NC(=O)COc1ccccc1C
InChIInChI=1S/C18H18N2O4/c1-12-5-3-4-6-16(12)24-11-18(21)20-19-15-10-23-17-9-13(22-2)7-8-14(15)17/h3-9H,10-11H2,1-2H3,(H,20,21)/b19-15+
InChIKeyJZJVXDOYCAIDHA-XDJHFCHBSA-N
MW326.35 g/mol
LogP2.30
Rot. Bonds5

About N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide

N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide (PubChem CID 90481683) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide
PubChem CID90481683
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide
SMILESCOc1ccc2c(c1)OC/C2=N\NC(=O)COc1ccccc1C
InChIInChI=1S/C18H18N2O4/c1-12-5-3-4-6-16(12)24-11-18(21)20-19-15-10-23-17-9-13(22-2)7-8-14(15)17/h3-9H,10-11H2,1-2H3,(H,20,21)/b19-15+
InChIKeyJZJVXDOYCAIDHA-XDJHFCHBSA-N
XLogP2.30
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.30
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'}

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Related Compounds

N-[(E)-(4-methoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 6870806
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
N-[(4R)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-2-(2-methylphenoxy)acetamide
CID 99993371
N-[(E)-(8-methyl-2,3-dihydrochromen-4-ylidene)amino]-2-(3-methylphenoxy)acetamide
CID 90481723
N-[(E)-1-cyclopropylethylideneamino]-2-(2-methylphenoxy)acetamide
CID 5428181
N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-2-(2-methylphenoxy)acetamide
CID 17100301
2-(2-methylphenoxy)-N-[(2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-ylidene)amino]acetamide
CID 4041514
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(2-methylphenoxy)acetamide
CID 94843850
2-(2-methylphenoxy)-N-[(Z)-(2,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 5456697
N-[(2-chloro-4-methoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 110783322
N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90548986
N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
CID 4251072

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide (CID 90481683) is N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide is COc1ccc2c(c1)OC/C2=N\NC(=O)COc1ccccc1C.
What is the InChIKey of N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide?
The InChIKey is JZJVXDOYCAIDHA-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-5-3-4-6-16(12)24-11-18(21)20-19-15-10-23-17-9-13(22-2)7-8-14(15)17/h3-9H,10-11H2,1-2H3,(H,20,21)/b19-15+.
What are the key properties of N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide?
N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-methoxy-1-benzofuran-3-ylidene)amino]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 90481683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).