[2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate

C15H14N2O4 — CID 7828580

IUPAC[2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate
SMILESNC(=O)NC(=O)COC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H14N2O4/c16-15(20)17-13(18)9-21-14(19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2,(H3,16,17,18,20)
InChIKeyVDZRJAUBUDQURL-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.12
Rot. Bonds4

About [2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate

[2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate (PubChem CID 7828580) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is [2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate.

Molecular Properties

Compound Name[2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate
PubChem CID7828580
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name[2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate
SMILESNC(=O)NC(=O)COC(=O)Cc1ccc2ccccc2c1
InChIInChI=1S/C15H14N2O4/c16-15(20)17-13(18)9-21-14(19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2,(H3,16,17,18,20)
InChIKeyVDZRJAUBUDQURL-UHFFFAOYSA-N
XLogP1.12
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828492
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828719
[2-oxo-2-(2-phenylanilino)ethyl] 2-naphthalen-2-ylacetate
CID 7828531
[2-(4-cyanoanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828754
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 33279450
[2-(4-bromo-2-methylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828670
[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl] 2-naphthalen-2-ylacetate
CID 7828541
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(4-acetamidophenyl)acetate
CID 8608400
iodo 2-naphthalen-2-ylacetate
CID 129274840
CID 162695032
CID 162695032
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-naphthalen-2-ylacetate
CID 7828549
N-(2-amino-2-oxoethyl)-2-naphthalen-2-ylacetamide
CID 9296472

Frequently Asked Questions

What is the IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate?
The IUPAC name of [2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate (CID 7828580) is [2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate.
What is the SMILES notation for [2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate?
The canonical SMILES for [2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate is NC(=O)NC(=O)COC(=O)Cc1ccc2ccccc2c1.
What is the InChIKey of [2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate?
The InChIKey is VDZRJAUBUDQURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c16-15(20)17-13(18)9-21-14(19)8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7H,8-9H2,(H3,16,17,18,20).
What are the key properties of [2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate?
[2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate has a molecular weight of 286.29 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(carbamoylamino)-2-oxoethyl] 2-naphthalen-2-ylacetate is sourced from PubChem (CID 7828580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).