[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate

C14H18N2O4 — CID 18195545

IUPAC[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
SMILESCCNC(=O)COC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C14H18N2O4/c1-3-15-13(18)9-20-14(19)12-6-4-11(5-7-12)8-16-10(2)17/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQBJKKRPLXBNDAE-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.62
Rot. Bonds6

About [2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate

[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate (PubChem CID 18195545) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
PubChem CID18195545
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
SMILESCCNC(=O)COC(=O)c1ccc(CNC(C)=O)cc1
InChIInChI=1S/C14H18N2O4/c1-3-15-13(18)9-20-14(19)12-6-4-11(5-7-12)8-16-10(2)17/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyQBJKKRPLXBNDAE-UHFFFAOYSA-N
XLogP0.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195544
[2-(butan-2-ylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18195539
[2-oxo-2-(2-phenylpropylamino)ethyl] 4-(acetamidomethyl)benzoate
CID 18195635
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 30996024
1-O-methyl 4-O-[2-[(4-methylphenyl)methylamino]-2-oxoethyl] benzene-1,4-dicarboxylate
CID 7296519
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-aminobenzoate
CID 23999522
[2-(ethylamino)-2-oxoethyl] 4-cyanobenzoate
CID 2592389
[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 9228962
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-(acetamidomethyl)benzoate
CID 18202739
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-ethoxybenzoate
CID 2521886
[2-(2-acetylhydrazinyl)-2-oxoethyl] 4-[(propan-2-ylcarbamoylamino)methyl]benzoate
CID 8915474

Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate (CID 18195545) is [2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate is CCNC(=O)COC(=O)c1ccc(CNC(C)=O)cc1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
The InChIKey is QBJKKRPLXBNDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-3-15-13(18)9-20-14(19)12-6-4-11(5-7-12)8-16-10(2)17/h4-7H,3,8-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate?
[2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate has a molecular weight of 278.31 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 4-(acetamidomethyl)benzoate is sourced from PubChem (CID 18195545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).