N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide

C27H24N2O3 — CID 4251072

IUPACN-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
SMILESCOc1ccc2cc(C(C)=NNC(=O)COc3ccccc3-c3ccccc3)ccc2c1
InChIInChI=1S/C27H24N2O3/c1-19(21-12-13-23-17-24(31-2)15-14-22(23)16-21)28-29-27(30)18-32-26-11-7-6-10-25(26)20-8-4-3-5-9-20/h3-17H,18H2,1-2H3,(H,29,30)
InChIKeyNNPSZIPMSIIQNP-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.43
Rot. Bonds7

About N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide

N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide (PubChem CID 4251072) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
PubChem CID4251072
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC NameN-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
SMILESCOc1ccc2cc(C(C)=NNC(=O)COc3ccccc3-c3ccccc3)ccc2c1
InChIInChI=1S/C27H24N2O3/c1-19(21-12-13-23-17-24(31-2)15-14-22(23)16-21)28-29-27(30)18-32-26-11-7-6-10-25(26)20-8-4-3-5-9-20/h3-17H,18H2,1-2H3,(H,29,30)
InChIKeyNNPSZIPMSIIQNP-UHFFFAOYSA-N
XLogP5.43
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.43
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-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(2-phenylphenoxy)acetamide
CID 135609476
N-[1-(4-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4109084
N-[1-(3-methoxyphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4133967
N-(1-naphthalen-2-ylethylideneamino)-2-phenoxyacetamide
CID 913446
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 921075
N-[(Z)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(2-phenylphenoxy)acetamide
CID 136903161
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
N-(1-naphthalen-2-ylethylideneamino)-2-(2,4,5-trichlorophenoxy)acetamide
CID 4583055
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)oxy]-N-[(E)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 13141355
2-(4-iodophenoxy)-N-[(Z)-1-naphthalen-2-ylethylideneamino]acetamide
CID 41290636
2-(2-methoxyphenoxy)-N-[(Z)-1-(4-phenylmethoxyphenyl)ethylideneamino]acetamide
CID 9315812
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-naphthalen-2-yloxyacetamide
CID 4609255

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide?
The IUPAC name of N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide (CID 4251072) is N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide.
What is the SMILES notation for N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide?
The canonical SMILES for N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide is COc1ccc2cc(C(C)=NNC(=O)COc3ccccc3-c3ccccc3)ccc2c1.
What is the InChIKey of N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide?
The InChIKey is NNPSZIPMSIIQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-19(21-12-13-23-17-24(31-2)15-14-22(23)16-21)28-29-27(30)18-32-26-11-7-6-10-25(26)20-8-4-3-5-9-20/h3-17H,18H2,1-2H3,(H,29,30).
What are the key properties of N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide?
N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide has a molecular weight of 424.50 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-methoxynaphthalen-2-yl)ethylideneamino]-2-(2-phenylphenoxy)acetamide is sourced from PubChem (CID 4251072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).