N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide

C21H18N2O4 — CID 6280674

IUPACN-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H18N2O4/c1-25-19-12-16-5-3-2-4-15(16)11-17(19)21(24)23-22-13-14-6-7-18-20(10-14)27-9-8-26-18/h2-7,10-13H,8-9H2,1H3,(H,23,24)/b22-13-
InChIKeyPWJILXSHJLNWRE-XKZIYDEJSA-N
MW362.39 g/mol
LogP3.38
Rot. Bonds4

About N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 6280674) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID6280674
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC NameN-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCOc1cc2ccccc2cc1C(=O)N/N=C\c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H18N2O4/c1-25-19-12-16-5-3-2-4-15(16)11-17(19)21(24)23-22-13-14-6-7-18-20(10-14)27-9-8-26-18/h2-7,10-13H,8-9H2,1H3,(H,23,24)/b22-13-
InChIKeyPWJILXSHJLNWRE-XKZIYDEJSA-N
XLogP3.38
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.38
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-[(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3743730
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135647002
N-[(3-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3092708
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]benzamide
CID 6909474
N-[(2-iodophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 2306154
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 6892831
N-[(3-chloro-4-propan-2-yloxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 4675268
3-methoxy-N-[(4-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 5173302
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-2-phenylquinoline-4-carboxamide
CID 126040448
N-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 136720676
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-2-carboxamide
CID 44507518

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 6280674) is N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide is COc1cc2ccccc2cc1C(=O)N/N=C\c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is PWJILXSHJLNWRE-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-25-19-12-16-5-3-2-4-15(16)11-17(19)21(24)23-22-13-14-6-7-18-20(10-14)27-9-8-26-18/h2-7,10-13H,8-9H2,1H3,(H,23,24)/b22-13-.
What are the key properties of N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 6280674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).