[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

C25H30N2O5 — CID 42012351

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESCCN(C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C25H30N2O5/c1-2-27(20-9-5-3-6-10-20)23(28)18-31-24(29)17-26-25(30)19-13-15-22(16-14-19)32-21-11-7-4-8-12-21/h4,7-8,11-16,20H,2-3,5-6,9-10,17-18H2,1H3,(H,26,30)
InChIKeyQBASDUUFAUDMTK-UHFFFAOYSA-N
MW438.52 g/mol
LogP3.93
Rot. Bonds9

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 42012351) has the molecular formula C25H30N2O5 and a molecular weight of 438.52 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID42012351
Molecular FormulaC25H30N2O5
Molecular Weight438.52 g/mol
Exact Mass438.22
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESCCN(C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)C1CCCCC1
InChIInChI=1S/C25H30N2O5/c1-2-27(20-9-5-3-6-10-20)23(28)18-31-24(29)17-26-25(30)19-13-15-22(16-14-19)32-21-11-7-4-8-12-21/h4,7-8,11-16,20H,2-3,5-6,9-10,17-18H2,1H3,(H,26,30)
InChIKeyQBASDUUFAUDMTK-UHFFFAOYSA-N
XLogP3.93
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate with MolForge

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Related Compounds

[2-(dicyclohexylamino)-2-oxoethyl] 2-benzamidoacetate
CID 3593681
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(2-ethoxybenzoyl)amino]acetate
CID 7042884
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7415896
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 40703234
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790284
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
[2-[[(3R)-1,1-dioxothiolan-3-yl]-ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 41183838
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 42965668
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 4270506
[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790334
2-phenoxyethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833308

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 42012351) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is CCN(C(=O)COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is QBASDUUFAUDMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O5/c1-2-27(20-9-5-3-6-10-20)23(28)18-31-24(29)17-26-25(30)19-13-15-22(16-14-19)32-21-11-7-4-8-12-21/h4,7-8,11-16,20H,2-3,5-6,9-10,17-18H2,1H3,(H,26,30).
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 438.52 g/mol, XLogP of 3.93, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 42012351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).