N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide

C23H23N3O4 — CID 6881664

IUPACN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C23H23N3O4/c1-2-29-21-13-12-17-8-6-7-11-19(17)20(21)14-25-26-22(27)15-24-23(28)16-30-18-9-4-3-5-10-18/h3-14H,2,15-16H2,1H3,(H,24,28)(H,26,27)/b25-14+
InChIKeyBKTCNXBWIGNELJ-AFUMVMLFSA-N
MW405.45 g/mol
LogP2.88
Rot. Bonds9

About N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide

N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide (PubChem CID 6881664) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide.

Molecular Properties

Compound NameN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
PubChem CID6881664
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
SMILESCCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)COc1ccccc1
InChIInChI=1S/C23H23N3O4/c1-2-29-21-13-12-17-8-6-7-11-19(17)20(21)14-25-26-22(27)15-24-23(28)16-30-18-9-4-3-5-10-18/h3-14H,2,15-16H2,1H3,(H,24,28)(H,26,27)/b25-14+
InChIKeyBKTCNXBWIGNELJ-AFUMVMLFSA-N
XLogP2.88
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
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

2-(4-bromophenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190726
N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-(3-ethylphenoxy)acetamide
CID 5452143
[1-[[(2-phenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 4171408
N-[2-[(2Z)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]pyridine-2-carboxamide
CID 46496021
N-[2-[(2E)-2-[(2-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 6881851
2-(4-chloro-3-methylphenoxy)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]acetamide
CID 19190730
N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
CID 3520224
[1-[[(2-phenoxyacetyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-methylbenzoate
CID 3420527
N-[(E)-(2-methoxynaphthalen-1-yl)methylideneamino]-2-(3-methoxyphenoxy)acetamide
CID 19208685
[1-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 6156832
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6110034
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-hydroxy-2-phenylacetamide
CID 5334451

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The IUPAC name of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide (CID 6881664) is N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide.
What is the SMILES notation for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The canonical SMILES for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is CCOc1ccc2ccccc2c1/C=N/NC(=O)CNC(=O)COc1ccccc1.
What is the InChIKey of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
The InChIKey is BKTCNXBWIGNELJ-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-2-29-21-13-12-17-8-6-7-11-19(17)20(21)14-25-26-22(27)15-24-23(28)16-30-18-9-4-3-5-10-18/h3-14H,2,15-16H2,1H3,(H,24,28)(H,26,27)/b25-14+.
What are the key properties of N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide?
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide has a molecular weight of 405.45 g/mol, XLogP of 2.88, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide is sourced from PubChem (CID 6881664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).