[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate

C20H21ClN2O5 — CID 16532605

IUPAC[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O5/c1-3-22-20(26)23-18(24)13(2)28-19(25)15-9-5-7-11-17(15)27-12-14-8-4-6-10-16(14)21/h4-11,13H,3,12H2,1-2H3,(H2,22,23,24,26)
InChIKeyYQALJOSEAIAJEE-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.31
Rot. Bonds7

About [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate

[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate (PubChem CID 16532605) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate
PubChem CID16532605
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Name[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate
SMILESCCNC(=O)NC(=O)C(C)OC(=O)c1ccccc1OCc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O5/c1-3-22-20(26)23-18(24)13(2)28-19(25)15-9-5-7-11-17(15)27-12-14-8-4-6-10-16(14)21/h4-11,13H,3,12H2,1-2H3,(H2,22,23,24,26)
InChIKeyYQALJOSEAIAJEE-UHFFFAOYSA-N
XLogP3.31
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-chlorobenzoate
CID 9412610
(2R)-2-(2-chlorophenoxy)-N-(ethylcarbamoyl)propanamide
CID 2631962
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-benzylbenzoate
CID 16528074
[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 2-phenylmethoxybenzoate
CID 7718152
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11927055
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-(difluoromethoxy)benzoate
CID 18091472
1-[2-[(2-chlorophenyl)methoxy]phenyl]propan-1-one
CID 29287743
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 5-chloro-1-[(2-chlorophenyl)methyl]-3-methylpyrazole-4-carboxylate
CID 2114943
2-[(2-chlorophenyl)methoxy]-N,N-diethylbenzamide
CID 13073609
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 46790287
(2-methoxyphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2392110
(2-methylphenyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2457678

Frequently Asked Questions

What is the IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate?
The IUPAC name of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate (CID 16532605) is [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate?
The canonical SMILES for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate is CCNC(=O)NC(=O)C(C)OC(=O)c1ccccc1OCc1ccccc1Cl.
What is the InChIKey of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate?
The InChIKey is YQALJOSEAIAJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-3-22-20(26)23-18(24)13(2)28-19(25)15-9-5-7-11-17(15)27-12-14-8-4-6-10-16(14)21/h4-11,13H,3,12H2,1-2H3,(H2,22,23,24,26).
What are the key properties of [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate?
[1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate has a molecular weight of 404.85 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 16532605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).