[2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate

C21H18N2O4 — CID 2353518

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H18N2O4/c22-21(26)15-8-10-17(11-9-15)23-19(24)13-27-20(25)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11H,12-13H2,(H2,22,26)(H,23,24)
InChIKeyMIGAPJXKEUHRRV-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.66
Rot. Bonds6

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (PubChem CID 2353518) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
PubChem CID2353518
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H18N2O4/c22-21(26)15-8-10-17(11-9-15)23-19(24)13-27-20(25)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11H,12-13H2,(H2,22,26)(H,23,24)
InChIKeyMIGAPJXKEUHRRV-UHFFFAOYSA-N
XLogP2.66
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625330
butyl 4-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 7867111
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625312
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2625274
[2-(4-carbamoylanilino)-2-oxoethyl] butanoate
CID 2092457
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 2338088
N-[4-(2-amino-2-oxoethoxy)phenyl]-2-naphthalen-1-ylacetamide
CID 38381033
(2-anilino-2-oxoethyl) 2-(2-chlorophenyl)acetate
CID 8633215
[2-(4-carbamoylanilino)-2-oxoethyl] 1-benzofuran-2-carboxylate
CID 7194046
methyl 2-[[2-(2-naphthalen-1-ylacetyl)oxyacetyl]amino]benzoate
CID 2625317
[2-oxo-2-(2,3,4-trifluoroanilino)ethyl] 2-naphthalen-1-ylacetate
CID 2089456
4-[[2-(naphthalen-1-ylamino)acetyl]amino]benzamide
CID 46633439

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate (CID 2353518) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate is NC(=O)c1ccc(NC(=O)COC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
The InChIKey is MIGAPJXKEUHRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c22-21(26)15-8-10-17(11-9-15)23-19(24)13-27-20(25)12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11H,12-13H2,(H2,22,26)(H,23,24).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate has a molecular weight of 362.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 2-naphthalen-1-ylacetate is sourced from PubChem (CID 2353518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).