[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate

C18H23N3O5 — CID 8900672

IUPAC[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O5/c22-15(21-18(25)20-14-9-5-2-6-10-14)12-26-16(23)11-19-17(24)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,19,24)(H2,20,21,22,25)
InChIKeyALXQHYGVZFJKCD-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.12
Rot. Bonds6

About [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate

[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate (PubChem CID 8900672) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate
PubChem CID8900672
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Name[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)NC(=O)NC1CCCCC1
InChIInChI=1S/C18H23N3O5/c22-15(21-18(25)20-14-9-5-2-6-10-14)12-26-16(23)11-19-17(24)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,19,24)(H2,20,21,22,25)
InChIKeyALXQHYGVZFJKCD-UHFFFAOYSA-N
XLogP1.12
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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[2-Oxo-2-(3-phenylpropylamino)ethyl] 2-benzamidoacetate
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[2-Oxo-2-(1-phenylethylamino)ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
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N-(2-(2-(cyclohexyl(methyl)amino)ethoxy)ethylcarbamothioyl)benzamide
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Ethyl 2-benzamido-3,3,3-trifluoro-2-morpholinopropionate
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Alanine, N-benzoyl-3-phenyl-, cyanomethyl ester, L-
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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate?
The IUPAC name of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate (CID 8900672) is [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate?
The canonical SMILES for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate is O=C(COC(=O)CNC(=O)c1ccccc1)NC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate?
The InChIKey is ALXQHYGVZFJKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c22-15(21-18(25)20-14-9-5-2-6-10-14)12-26-16(23)11-19-17(24)13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,19,24)(H2,20,21,22,25).
What are the key properties of [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate?
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate has a molecular weight of 361.40 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-benzamidoacetate is sourced from PubChem (CID 8900672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).