[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C21H24N2O4 — CID 2098588

IUPAC[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H24N2O4/c24-19(23-18-11-10-15-6-4-5-9-17(15)12-18)14-27-20(25)13-22-21(26)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,22,26)(H,23,24)
InChIKeyFCYIGSGRGPFDFV-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.02
Rot. Bonds6

About [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2098588) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2098588
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc2ccccc2c1
InChIInChI=1S/C21H24N2O4/c24-19(23-18-11-10-15-6-4-5-9-17(15)12-18)14-27-20(25)13-22-21(26)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,22,26)(H,23,24)
InChIKeyFCYIGSGRGPFDFV-UHFFFAOYSA-N
XLogP3.02
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-difluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547340
[2-(4-chloroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547405
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 7751597
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807697
[2-(2-nitroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807700
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547362
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(1-adamantyl)acetate
CID 7695749
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 23307090
[2-(naphthalen-2-ylamino)-2-oxoethyl] 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734144
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547241
[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 7807689

Frequently Asked Questions

What is the IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2098588) is [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(COC(=O)CNC(=O)C1CCCCC1)Nc1ccc2ccccc2c1.
What is the InChIKey of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is FCYIGSGRGPFDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c24-19(23-18-11-10-15-6-4-5-9-17(15)12-18)14-27-20(25)13-22-21(26)16-7-2-1-3-8-16/h4-6,9-12,16H,1-3,7-8,13-14H2,(H,22,26)(H,23,24).
What are the key properties of [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 368.43 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(naphthalen-2-ylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2098588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).