2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide

C23H27N3O3 — CID 46496046

IUPAC2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CNC(=O)COc1cccc(C)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H27N3O3/c1-16-6-5-9-21(12-16)29-15-23(28)24-14-22(27)26-25-17(2)19-11-10-18-7-3-4-8-20(18)13-19/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,24,28)(H,26,27)/b25-17+
InChIKeyDASCKIBHTMIWMC-KOEQRZSOSA-N
MW393.49 g/mol
LogP2.91
Rot. Bonds7

About 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide

2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide (PubChem CID 46496046) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
PubChem CID46496046
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)CNC(=O)COc1cccc(C)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C23H27N3O3/c1-16-6-5-9-21(12-16)29-15-23(28)24-14-22(27)26-25-17(2)19-11-10-18-7-3-4-8-20(18)13-19/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,24,28)(H,26,27)/b25-17+
InChIKeyDASCKIBHTMIWMC-KOEQRZSOSA-N
XLogP2.91
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 52.91
H-Bond Donors ≤ 52
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

2-(3-methylphenoxy)-N-[1-(4-methylphenyl)ethylideneamino]acetamide
CID 968545
2-(3-methylphenoxy)-N-[(Z)-1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylideneamino]acetamide
CID 8979018
N-[(E)-1-(furan-2-yl)ethylideneamino]-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 7380936
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 969299
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 136627448
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 4657371
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]-2-(3-methylphenoxy)acetamide
CID 6938758
N-[(E)-1-(3-methylphenyl)ethylideneamino]-2-phenoxyacetamide
CID 19685184
4-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]-4-phenylbutanoic acid
CID 3763980
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3548730
2-(3-methylphenoxy)-N-[(Z)-1-(4-propoxyphenyl)ethylideneamino]acetamide
CID 7934604
2-(3-methylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 133188150

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide?
The IUPAC name of 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide (CID 46496046) is 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide?
The canonical SMILES for 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide is C/C(=N\NC(=O)CNC(=O)COc1cccc(C)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide?
The InChIKey is DASCKIBHTMIWMC-KOEQRZSOSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-6-5-9-21(12-16)29-15-23(28)24-14-22(27)26-25-17(2)19-11-10-18-7-3-4-8-20(18)13-19/h5-6,9-13H,3-4,7-8,14-15H2,1-2H3,(H,24,28)(H,26,27)/b25-17+.
What are the key properties of 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide?
2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide has a molecular weight of 393.49 g/mol, XLogP of 2.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide is sourced from PubChem (CID 46496046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).