[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate

C21H26N2O4 — CID 8573841

IUPAC[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCCCCCCNC(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O4/c1-2-3-4-7-12-22-19(24)15-27-20(25)14-23-21(26)18-11-10-16-8-5-6-9-17(16)13-18/h5-6,8-11,13H,2-4,7,12,14-15H2,1H3,(H,22,24)(H,23,26)
InChIKeyBOPFYTVYVDUNFG-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.81
Rot. Bonds10

About [2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate

[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (PubChem CID 8573841) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is [2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
PubChem CID8573841
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
SMILESCCCCCCNC(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C21H26N2O4/c1-2-3-4-7-12-22-19(24)15-27-20(25)14-23-21(26)18-11-10-16-8-5-6-9-17(16)13-18/h5-6,8-11,13H,2-4,7,12,14-15H2,1H3,(H,22,24)(H,23,26)
InChIKeyBOPFYTVYVDUNFG-UHFFFAOYSA-N
XLogP2.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-oxo-2-(pentylamino)ethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 8574802
N-octadecylnaphthalene-2-carboxamide
CID 20549010
N-heptylnaphthalene-2-carboxamide
CID 91722099
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881701
N-pentylnaphthalene-2-carboxamide
CID 91722098
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 8573777
[2-(ethoxycarbonylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881303
ethyl 2-(naphthalene-2-carbonylamino)acetate
CID 43007593
N-[4-(naphthalene-2-carbonylamino)butyl]naphthalene-2-carboxamide
CID 101181857
methyl 5-(naphthalene-2-carbonylamino)pentanoate
CID 42598707
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate
CID 7881567
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920

Frequently Asked Questions

What is the IUPAC name of [2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The IUPAC name of [2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate (CID 8573841) is [2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate.
What is the SMILES notation for [2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The canonical SMILES for [2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is CCCCCCNC(=O)COC(=O)CNC(=O)c1ccc2ccccc2c1.
What is the InChIKey of [2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
The InChIKey is BOPFYTVYVDUNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-2-3-4-7-12-22-19(24)15-27-20(25)14-23-21(26)18-11-10-16-8-5-6-9-17(16)13-18/h5-6,8-11,13H,2-4,7,12,14-15H2,1H3,(H,22,24)(H,23,26).
What are the key properties of [2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate?
[2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate has a molecular weight of 370.45 g/mol, XLogP of 2.81, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hexylamino)-2-oxoethyl] 2-(naphthalene-2-carbonylamino)acetate is sourced from PubChem (CID 8573841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).