[2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C18H24N2O4 — CID 2547368

IUPAC[2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)NCc1ccccc1
InChIInChI=1S/C18H24N2O4/c21-16(19-11-14-7-3-1-4-8-14)13-24-17(22)12-20-18(23)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,21)(H,20,23)
InChIKeyCIEOAGBFRYVYEI-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.54
Rot. Bonds7

About [2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2547368) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2547368
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C1CCCCC1)NCc1ccccc1
InChIInChI=1S/C18H24N2O4/c21-16(19-11-14-7-3-1-4-8-14)13-24-17(22)12-20-18(23)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,21)(H,20,23)
InChIKeyCIEOAGBFRYVYEI-UHFFFAOYSA-N
XLogP1.54
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 2079530
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 2435628
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 2438194
[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
CID 3448368
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 4333683
[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate
CID 4788365
[2-(Cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate
CID 8900672
[2-(cyclopropylamino)-2-oxoethyl] (2S)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 9502237
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2358073
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (2S)-2-benzamido-3-methylbutanoate
CID 2358436

Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2547368) is [2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is O=C(COC(=O)CNC(=O)C1CCCCC1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is CIEOAGBFRYVYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c21-16(19-11-14-7-3-1-4-8-14)13-24-17(22)12-20-18(23)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-13H2,(H,19,21)(H,20,23).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 332.40 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2547368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).