N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

C21H19N3O5 — CID 5457641

IUPACN-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cc2ccccc2cc1OC
InChIInChI=1S/C21H19N3O5/c1-3-29-19-9-8-17(24(26)27)10-16(19)13-22-23-21(25)18-11-14-6-4-5-7-15(14)12-20(18)28-2/h4-13H,3H2,1-2H3,(H,23,25)/b22-13-
InChIKeyWGWQHQOAIDFCHZ-XKZIYDEJSA-N
MW393.40 g/mol
LogP3.92
Rot. Bonds7

About N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide

N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (PubChem CID 5457641) has the molecular formula C21H19N3O5 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
PubChem CID5457641
Molecular FormulaC21H19N3O5
Molecular Weight393.40 g/mol
Exact Mass393.13
IUPAC NameN-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
SMILESCCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cc2ccccc2cc1OC
InChIInChI=1S/C21H19N3O5/c1-3-29-19-9-8-17(24(26)27)10-16(19)13-22-23-21(25)18-11-14-6-4-5-7-15(14)12-20(18)28-2/h4-13H,3H2,1-2H3,(H,23,25)/b22-13-
InChIKeyWGWQHQOAIDFCHZ-XKZIYDEJSA-N
XLogP3.92
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137168358
N-[(Z)-(2-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 137083503
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-methoxy-5-nitrobenzamide
CID 126186109
N-[(E)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 135533021
4-chloro-N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]benzamide
CID 5390798
ethyl N-[[2-[2-(2-methoxyphenoxy)ethoxy]-5-nitrophenyl]methylideneamino]carbamate
CID 3783954
ethyl 2-[4-bromo-2-[[(3-methoxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 4690505
2-ethoxy-6-[(Z)-[(2-fluorobenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 7308981
3-methoxy-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]naphthalene-2-carboxamide
CID 6044173
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
2-methoxy-5-nitro-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 126178658
2-ethoxy-6-[(E)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]-4-nitrophenolate
CID 135554747

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The IUPAC name of N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide (CID 5457641) is N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is CCOc1ccc([N+](=O)[O-])cc1/C=N\NC(=O)c1cc2ccccc2cc1OC.
What is the InChIKey of N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
The InChIKey is WGWQHQOAIDFCHZ-XKZIYDEJSA-N. The full InChI is InChI=1S/C21H19N3O5/c1-3-29-19-9-8-17(24(26)27)10-16(19)13-22-23-21(25)18-11-14-6-4-5-7-15(14)12-20(18)28-2/h4-13H,3H2,1-2H3,(H,23,25)/b22-13-.
What are the key properties of N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide?
N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-ethoxy-5-nitrophenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide is sourced from PubChem (CID 5457641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).