[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate

C14H18N2O4 — CID 7654146

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C14H18N2O4/c1-9(2)15-13(18)8-20-14(19)11-4-6-12(7-5-11)16-10(3)17/h4-7,9H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNNKNXFYOHQFUFH-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.33
Rot. Bonds5

About [2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate

[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate (PubChem CID 7654146) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate
PubChem CID7654146
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate
SMILESCC(=O)Nc1ccc(C(=O)OCC(=O)NC(C)C)cc1
InChIInChI=1S/C14H18N2O4/c1-9(2)15-13(18)8-20-14(19)11-4-6-12(7-5-11)16-10(3)17/h4-7,9H,8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyNNKNXFYOHQFUFH-UHFFFAOYSA-N
XLogP1.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949759
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949758
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320
[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7949746
[2-[[(2R,3S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 9015974
[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 4-acetamidobenzoate
CID 7654302
[2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-acetamidobenzoate
CID 7654378
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 4-acetamidobenzoate
CID 7949966
(2-oxo-2-propan-2-yloxyethyl) 4-acetamidobenzoate
CID 27011161
[2-(4-acetamidoanilino)-2-oxoethyl] 4-iodobenzoate
CID 2505523
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 4-(carbamoylamino)benzoate
CID 46793074

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate (CID 7654146) is [2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate is CC(=O)Nc1ccc(C(=O)OCC(=O)NC(C)C)cc1.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate?
The InChIKey is NNKNXFYOHQFUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9(2)15-13(18)8-20-14(19)11-4-6-12(7-5-11)16-10(3)17/h4-7,9H,8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate?
[2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate has a molecular weight of 278.31 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 4-acetamidobenzoate is sourced from PubChem (CID 7654146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).