N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide

C20H17N3O5 — CID 5432415

IUPACN-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C20H17N3O5/c1-27-19-11-6-14(17-4-2-3-5-18(17)19)12-21-22-20(24)13-28-16-9-7-15(8-10-16)23(25)26/h2-12H,13H2,1H3,(H,22,24)/b21-12-
InChIKeyQKTTWILWKIUVJM-MTJSOVHGSA-N
MW379.37 g/mol
LogP3.29
Rot. Bonds7

About N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide

N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide (PubChem CID 5432415) has the molecular formula C20H17N3O5 and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide
PubChem CID5432415
Molecular FormulaC20H17N3O5
Molecular Weight379.37 g/mol
Exact Mass379.12
IUPAC NameN-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide
SMILESCOc1ccc(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc12
InChIInChI=1S/C20H17N3O5/c1-27-19-11-6-14(17-4-2-3-5-18(17)19)12-21-22-20(24)13-28-16-9-7-15(8-10-16)23(25)26/h2-12H,13H2,1H3,(H,22,24)/b21-12-
InChIKeyQKTTWILWKIUVJM-MTJSOVHGSA-N
XLogP3.29
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.29
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)-(5-ethoxy-2-methoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5431266
N-[(5-bromo-2,4-dimethoxyphenyl)methylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5089183
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
2-(2,6-dimethylphenoxy)-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 6129551
2-(2-chlorophenoxy)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3361863
2-(4-methoxyphenoxy)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6870627
2-(4-nitrophenoxy)-N-[[4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3514578
[2-methoxy-3-nitro-4-[[[2-(4-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] acetate
CID 71950464
N-[(E)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 6896409
N-[(Z)-naphthalen-2-ylmethylideneamino]-2-(4-nitrophenoxy)acetamide
CID 5414565
[2-methoxy-4-[[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 3732474
2-(4-methoxyanilino)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 4628921

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide (CID 5432415) is N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide is COc1ccc(/C=N\NC(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc12.
What is the InChIKey of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
The InChIKey is QKTTWILWKIUVJM-MTJSOVHGSA-N. The full InChI is InChI=1S/C20H17N3O5/c1-27-19-11-6-14(17-4-2-3-5-18(17)19)12-21-22-20(24)13-28-16-9-7-15(8-10-16)23(25)26/h2-12H,13H2,1H3,(H,22,24)/b21-12-.
What are the key properties of N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide?
N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide has a molecular weight of 379.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]-2-(4-nitrophenoxy)acetamide is sourced from PubChem (CID 5432415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).