[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate

C18H24N2O4 — CID 4829050

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H24N2O4/c1-13(21)19-16-10-6-7-14(11-16)18(23)24-12-17(22)20-15-8-4-2-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyAGGBFAJXGXLHGF-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.64
Rot. Bonds5

About [2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate

[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate (PubChem CID 4829050) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
PubChem CID4829050
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate
SMILESCC(=O)Nc1cccc(C(=O)OCC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C18H24N2O4/c1-13(21)19-16-10-6-7-14(11-16)18(23)24-12-17(22)20-15-8-4-2-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12H2,1H3,(H,19,21)(H,20,22)
InChIKeyAGGBFAJXGXLHGF-UHFFFAOYSA-N
XLogP2.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cycloheptylamino)-2-oxoethyl] 3-chlorobenzoate
CID 2121282
[2-(3-acetylanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582150
[2-(4-acetamidoanilino)-2-oxoethyl] 3-acetamidobenzoate
CID 2582447
[2-[[(1R,2S)-2-methylcyclohexyl]carbamoylamino]-2-oxoethyl] 3-acetamidobenzoate
CID 8821145
[2-(cycloheptylamino)-2-oxoethyl] 3-cyanobenzoate
CID 2626300
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidobenzoate
CID 18206257
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-acetamidobenzoate
CID 2638280
[2-(cycloheptylamino)-2-oxoethyl] 3,4-dichlorobenzoate
CID 2430435
N'-(3-acetylphenyl)-N-cyclopentylpropanediamide
CID 108942255
[2-(3-acetamidoanilino)-2-oxoethyl] 4-cyclohexylbenzoate
CID 8538394
[2-(cyclopentylamino)-2-oxoethyl] 3-[(3-methylphenyl)sulfamoyl]benzoate
CID 2706798
[2-(cyclopentylamino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539000

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate (CID 4829050) is [2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate is CC(=O)Nc1cccc(C(=O)OCC(=O)NC2CCCCCC2)c1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate?
The InChIKey is AGGBFAJXGXLHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13(21)19-16-10-6-7-14(11-16)18(23)24-12-17(22)20-15-8-4-2-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12H2,1H3,(H,19,21)(H,20,22).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate?
[2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate has a molecular weight of 332.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 3-acetamidobenzoate is sourced from PubChem (CID 4829050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).