N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

C19H18N2O3 — CID 9464567

IUPACN-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1/C=N\NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C19H18N2O3/c1-3-23-16-10-6-4-8-14(16)12-20-21-19(22)18-13(2)15-9-5-7-11-17(15)24-18/h4-12H,3H2,1-2H3,(H,21,22)/b20-12-
InChIKeyFVTVEHWOSOEVLB-NDENLUEZSA-N
MW322.36 g/mol
LogP3.90
Rot. Bonds5

About N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9464567) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9464567
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccccc1/C=N\NC(=O)c1oc2ccccc2c1C
InChIInChI=1S/C19H18N2O3/c1-3-23-16-10-6-4-8-14(16)12-20-21-19(22)18-13(2)15-9-5-7-11-17(15)24-18/h4-12H,3H2,1-2H3,(H,21,22)/b20-12-
InChIKeyFVTVEHWOSOEVLB-NDENLUEZSA-N
XLogP3.90
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464746
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[(E)-(2-ethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6893654
N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464743
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464455
methyl N-[(Z)-(2-ethoxyphenyl)methylideneamino]carbamate
CID 5417453
N-[(2-ethoxyphenyl)methylideneamino]pyridine-4-carboxamide
CID 690991
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
N-[(2-ethoxyphenyl)methylideneamino]-3,4,5-trihydroxybenzamide
CID 4570338
N-[(2-ethoxyphenyl)methylideneamino]-2-fluorobenzamide
CID 2593226
N-[(2-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931430

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (CID 9464567) is N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccccc1/C=N\NC(=O)c1oc2ccccc2c1C.
What is the InChIKey of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is FVTVEHWOSOEVLB-NDENLUEZSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-23-16-10-6-4-8-14(16)12-20-21-19(22)18-13(2)15-9-5-7-11-17(15)24-18/h4-12H,3H2,1-2H3,(H,21,22)/b20-12-.
What are the key properties of N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9464567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).