N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

C22H18N2O3 — CID 9464323

IUPACN-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2cc(/C=N\NC(=O)c3oc4ccccc4c3C)ccc2c1
InChIInChI=1S/C22H18N2O3/c1-14-19-5-3-4-6-20(19)27-21(14)22(25)24-23-13-15-7-8-17-12-18(26-2)10-9-16(17)11-15/h3-13H,1-2H3,(H,24,25)/b23-13-
InChIKeySJZOLCXMXGUOSG-QRVIBDJDSA-N
MW358.40 g/mol
LogP4.67
Rot. Bonds4

About N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide

N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9464323) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9464323
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2cc(/C=N\NC(=O)c3oc4ccccc4c3C)ccc2c1
InChIInChI=1S/C22H18N2O3/c1-14-19-5-3-4-6-20(19)27-21(14)22(25)24-23-13-15-7-8-17-12-18(26-2)10-9-16(17)11-15/h3-13H,1-2H3,(H,24,25)/b23-13-
InChIKeySJZOLCXMXGUOSG-QRVIBDJDSA-N
XLogP4.67
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.67
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-hydroxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464574
N-[(Z)-(4-bromophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464455
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464583
N-[(Z)-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464476
N-[(Z)-(3-ethoxy-4-propoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464746
N'-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]oxamide
CID 9120780
N-[(3,4-dimethoxyphenyl)methylideneamino]-4-hydroxy-3-methyl-1-benzofuran-2-carboxamide
CID 175009758
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-2-phenylacetamide
CID 6001372
N-[(Z)-[2-(difluoromethoxy)naphthalen-1-yl]methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464743
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide
CID 9464567
N-(7-methoxyquinolin-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 54773926
3,4,5-trimethoxy-N-[(E)-naphthalen-2-ylmethylideneamino]benzamide
CID 6910456

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide (CID 9464323) is N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2cc(/C=N\NC(=O)c3oc4ccccc4c3C)ccc2c1.
What is the InChIKey of N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SJZOLCXMXGUOSG-QRVIBDJDSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-14-19-5-3-4-6-20(19)27-21(14)22(25)24-23-13-15-7-8-17-12-18(26-2)10-9-16(17)11-15/h3-13H,1-2H3,(H,24,25)/b23-13-.
What are the key properties of N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide?
N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9464323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).