N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide

C22H22N2O3 — CID 7779976

IUPACN-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCCOc1ccc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O3/c1-2-27-19-12-10-18(11-13-19)24-22(26)15-23-21(25)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyZSZBATZKJYQUEA-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.54
Rot. Bonds7

About N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 7779976) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID7779976
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESCCOc1ccc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C22H22N2O3/c1-2-27-19-12-10-18(11-13-19)24-22(26)15-23-21(25)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26)
InChIKeyZSZBATZKJYQUEA-UHFFFAOYSA-N
XLogP3.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(4-bromoanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 55959917
methyl 2-[[4-[[2-[(2-naphthalen-1-ylacetyl)amino]acetyl]amino]benzoyl]amino]acetate
CID 55441060
N-[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 7478533
N-(4-ethoxyphenyl)-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 9397488
2-naphthalen-1-yl-N-(4-prop-2-enoxyphenyl)acetamide
CID 4952511
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-naphthalen-1-ylacetamide
CID 38381033
N-[2-(ethylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 18145666
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-naphthalen-1-ylacetamide
CID 86898258
4-ethoxy-N-(naphthalen-1-ylmethyl)aniline
CID 964344
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-2-(4-ethoxyphenyl)acetamide
CID 110407244
2-[2-(aminomethyl)phenyl]-N-(4-ethoxyphenyl)acetamide
CID 81312144

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 7779976) is N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide is CCOc1ccc(NC(=O)CNC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is ZSZBATZKJYQUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-2-27-19-12-10-18(11-13-19)24-22(26)15-23-21(25)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13H,2,14-15H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 362.43 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyanilino)-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 7779976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).