N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide

C22H21N3O5 — CID 9466889

IUPACN-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCC/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C22H21N3O5/c1-3-19(17-9-8-16-13-18(29-2)11-10-15(16)12-17)23-24-22(26)14-30-21-7-5-4-6-20(21)25(27)28/h4-13H,3,14H2,1-2H3,(H,24,26)/b23-19-
InChIKeyJECIKYQKHFTIMM-NMWGTECJSA-N
MW407.43 g/mol
LogP4.07
Rot. Bonds8

About N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide

N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide (PubChem CID 9466889) has the molecular formula C22H21N3O5 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide
PubChem CID9466889
Molecular FormulaC22H21N3O5
Molecular Weight407.43 g/mol
Exact Mass407.15
IUPAC NameN-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide
SMILESCC/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C22H21N3O5/c1-3-19(17-9-8-16-13-18(29-2)11-10-15(16)12-17)23-24-22(26)14-30-21-7-5-4-6-20(21)25(27)28/h4-13H,3,14H2,1-2H3,(H,24,26)/b23-19-
InChIKeyJECIKYQKHFTIMM-NMWGTECJSA-N
XLogP4.07
TPSA103.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.07
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

2-(2-fluorophenoxy)-N-[(Z)-1-(4-methoxyphenyl)propylideneamino]acetamide
CID 9316868
methyl N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]carbamate
CID 8972630
2-(4-methoxyphenyl)-N'-[2-(2-nitrophenoxy)acetyl]acetohydrazide
CID 4931201
2-(2-bromo-4-methoxyphenoxy)-N-(1-phenylpropylideneamino)acetamide
CID 4531701
2-(2-nitrophenoxy)-N-[(Z)-1-(2,4,5-trimethylphenyl)ethylideneamino]acetamide
CID 9466938
2-(2-nitrophenoxy)-N-[(Z)-1-(4-propan-2-ylphenyl)ethylideneamino]acetamide
CID 7571540
N-[(Z)-1-(3,4-dimethylphenyl)ethylideneamino]-2-(2-nitrophenoxy)acetamide
CID 9467197
N-[(4-methoxyphenyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 2500657
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 2847875
2-(2,4-dichlorophenoxy)-N-[1-(4-methoxyphenyl)propylideneamino]acetamide
CID 4582547
N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
CID 4251072
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide (CID 9466889) is N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide is CC/C(=N/NC(=O)COc1ccccc1[N+](=O)[O-])c1ccc2cc(OC)ccc2c1.
What is the InChIKey of N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide?
The InChIKey is JECIKYQKHFTIMM-NMWGTECJSA-N. The full InChI is InChI=1S/C22H21N3O5/c1-3-19(17-9-8-16-13-18(29-2)11-10-15(16)12-17)23-24-22(26)14-30-21-7-5-4-6-20(21)25(27)28/h4-13H,3,14H2,1-2H3,(H,24,26)/b23-19-.
What are the key properties of N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide?
N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide has a molecular weight of 407.43 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(6-methoxynaphthalen-2-yl)propylideneamino]-2-(2-nitrophenoxy)acetamide is sourced from PubChem (CID 9466889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).