N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide

C22H22N2O2 — CID 3255035

IUPACN-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide
SMILESCC(C)C(=NNC(=O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16(2)22(18-10-4-3-5-11-18)24-23-21(25)15-26-20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16H,15H2,1-2H3,(H,23,25)
InChIKeyTWMOWJSFWKJVCI-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.40
Rot. Bonds6

About N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide

N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide (PubChem CID 3255035) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide.

Molecular Properties

Compound NameN-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide
PubChem CID3255035
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide
SMILESCC(C)C(=NNC(=O)COc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16(2)22(18-10-4-3-5-11-18)24-23-21(25)15-26-20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16H,15H2,1-2H3,(H,23,25)
InChIKeyTWMOWJSFWKJVCI-UHFFFAOYSA-N
XLogP4.40
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,3-dimethylphenoxy)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17343902
2-naphthalen-1-yloxy-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5404956
2-(4-bromo-2-chlorophenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982201
N-[1-(3-aminophenyl)ethylideneamino]-2-naphthalen-1-yloxyacetamide
CID 922110
N-(1,3-diphenylprop-2-enylideneamino)-2-naphthalen-1-yloxyacetamide
CID 3255207
2-(4-butan-2-ylphenoxy)-N-[(2-methyl-1-phenylpropylidene)amino]acetamide
CID 4982206
2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
3-methyl-1-naphthalen-1-yloxybutan-2-one
CID 79395677
2-naphthalen-1-yloxy-N-[(Z)-1-thiophen-2-ylethylideneamino]acetamide
CID 5406666
(2S)-2-[2-methoxy-6-[(E)-[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenoxy]propanoic acid
CID 126238421
N-(4-methylpentan-2-yl)-2-naphthalen-1-yloxyacetamide
CID 11839391
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide?
The IUPAC name of N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide (CID 3255035) is N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide.
What is the SMILES notation for N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide?
The canonical SMILES for N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide is CC(C)C(=NNC(=O)COc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide?
The InChIKey is TWMOWJSFWKJVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(2)22(18-10-4-3-5-11-18)24-23-21(25)15-26-20-14-8-12-17-9-6-7-13-19(17)20/h3-14,16H,15H2,1-2H3,(H,23,25).
What are the key properties of N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide?
N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide has a molecular weight of 346.43 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1-phenylpropylidene)amino]-2-naphthalen-1-yloxyacetamide is sourced from PubChem (CID 3255035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).