[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate

C19H20N2O5 — CID 33106855

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc(CNC(N)=O)cc2)cc1
InChIInChI=1S/C19H20N2O5/c1-2-25-16-9-7-14(8-10-16)17(22)12-26-18(23)15-5-3-13(4-6-15)11-21-19(20)24/h3-10H,2,11-12H2,1H3,(H3,20,21,24)
InChIKeyPDXJFPJTGBDZIS-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.29
Rot. Bonds8

About [2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate

[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate (PubChem CID 33106855) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
PubChem CID33106855
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate
SMILESCCOc1ccc(C(=O)COC(=O)c2ccc(CNC(N)=O)cc2)cc1
InChIInChI=1S/C19H20N2O5/c1-2-25-16-9-7-14(8-10-16)17(22)12-26-18(23)15-5-3-13(4-6-15)11-21-19(20)24/h3-10H,2,11-12H2,1H3,(H3,20,21,24)
InChIKeyPDXJFPJTGBDZIS-UHFFFAOYSA-N
XLogP2.29
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521886
[2-[(4-bromophenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 71820592
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 7203723
[2-(carbamoylamino)-2-oxoethyl] 4-ethoxybenzoate
CID 2521893
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-methylsulfonylbenzoate
CID 7744622
4-ethoxy-N-[[4-[[(4-ethoxybenzoyl)amino]methyl]phenyl]methyl]benzamide
CID 3528873
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-(1,3-dithiolan-2-yl)benzoate
CID 7744221
N'-[(4-ethoxyphenyl)methyl]oxamide
CID 115191812
[2-[4-(acetamidomethyl)phenyl]-2-oxoethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate
CID 9485000
1-(4-ethoxyphenyl)-3-(4-ethylphenyl)propane-1,3-dione
CID 18428768
N,N'-bis[(4-ethoxyphenyl)methyl]oxamide
CID 125144939
[2-(4-ethylphenyl)-2-oxoethyl] 4-methoxybenzoate
CID 902766

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate (CID 33106855) is [2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate is CCOc1ccc(C(=O)COC(=O)c2ccc(CNC(N)=O)cc2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate?
The InChIKey is PDXJFPJTGBDZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-2-25-16-9-7-14(8-10-16)17(22)12-26-18(23)15-5-3-13(4-6-15)11-21-19(20)24/h3-10H,2,11-12H2,1H3,(H3,20,21,24).
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate has a molecular weight of 356.38 g/mol, XLogP of 2.29, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 4-[(carbamoylamino)methyl]benzoate is sourced from PubChem (CID 33106855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).