[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate

C20H20N2O5 — CID 40703234

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NC1CC1
InChIInChI=1S/C20H20N2O5/c23-18(22-15-8-9-15)13-26-19(24)12-21-20(25)14-6-10-17(11-7-14)27-16-4-2-1-3-5-16/h1-7,10-11,15H,8-9,12-13H2,(H,21,25)(H,22,23)
InChIKeyMBWXXWGQINVRDK-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.03
Rot. Bonds8

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

[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (PubChem CID 40703234) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
PubChem CID40703234
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
SMILESO=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NC1CC1
InChIInChI=1S/C20H20N2O5/c23-18(22-15-8-9-15)13-26-19(24)12-21-20(25)14-6-10-17(11-7-14)27-16-4-2-1-3-5-16/h1-7,10-11,15H,8-9,12-13H2,(H,21,25)(H,22,23)
InChIKeyMBWXXWGQINVRDK-UHFFFAOYSA-N
XLogP2.03
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7415896
[2-(cyclopropylamino)-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880563
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788243
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 4270506
[2-(benzylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833383
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790244
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833361
[2-[2-(4-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 16530168
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 3386791
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 7880469
[2-(cyclooctylamino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 35643140
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42012351

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate (CID 40703234) is [2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is O=C(COC(=O)CNC(=O)c1ccc(Oc2ccccc2)cc1)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
The InChIKey is MBWXXWGQINVRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c23-18(22-15-8-9-15)13-26-19(24)12-21-20(25)14-6-10-17(11-7-14)27-16-4-2-1-3-5-16/h1-7,10-11,15H,8-9,12-13H2,(H,21,25)(H,22,23).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate has a molecular weight of 368.39 g/mol, XLogP of 2.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate is sourced from PubChem (CID 40703234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).