[2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate

C18H25NO4 — CID 2636785

IUPAC[2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NCC1CCCCC1
InChIInChI=1S/C18H25NO4/c1-2-22-16-11-7-6-10-15(16)18(21)23-13-17(20)19-12-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,19,20)
InChIKeyPCMWGCTXLBWDSG-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.94
Rot. Bonds7

About [2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate

[2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate (PubChem CID 2636785) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate.

Molecular Properties

Compound Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
PubChem CID2636785
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Name[2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate
SMILESCCOc1ccccc1C(=O)OCC(=O)NCC1CCCCC1
InChIInChI=1S/C18H25NO4/c1-2-22-16-11-7-6-10-15(16)18(21)23-13-17(20)19-12-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,19,20)
InChIKeyPCMWGCTXLBWDSG-UHFFFAOYSA-N
XLogP2.94
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate?
The IUPAC name of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate (CID 2636785) is [2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate.
What is the SMILES notation for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate?
The canonical SMILES for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate is CCOc1ccccc1C(=O)OCC(=O)NCC1CCCCC1.
What is the InChIKey of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate?
The InChIKey is PCMWGCTXLBWDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-2-22-16-11-7-6-10-15(16)18(21)23-13-17(20)19-12-14-8-4-3-5-9-14/h6-7,10-11,14H,2-5,8-9,12-13H2,1H3,(H,19,20).
What are the key properties of [2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate?
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate has a molecular weight of 319.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylmethylamino)-2-oxoethyl] 2-ethoxybenzoate is sourced from PubChem (CID 2636785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).