[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

C19H22N2O4 — CID 7854462

IUPAC[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)14-8-6-13(7-9-14)18(24)21-11-17(23)25-12-16(22)15-5-4-10-20-15/h4-10,20H,11-12H2,1-3H3,(H,21,24)
InChIKeyFYBCVFFWZBORCN-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.47
Rot. Bonds6

About [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (PubChem CID 7854462) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
PubChem CID7854462
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc1
InChIInChI=1S/C19H22N2O4/c1-19(2,3)14-8-6-13(7-9-14)18(24)21-11-17(23)25-12-16(22)15-5-4-10-20-15/h4-10,20H,11-12H2,1-3H3,(H,21,24)
InChIKeyFYBCVFFWZBORCN-UHFFFAOYSA-N
XLogP2.47
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 2998346
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855476
[2-(4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854515
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-fluorobenzoyl)amino]acetate
CID 9269914
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-[(2-methylbenzoyl)amino]acetate
CID 18289243
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854460
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 9492401
[2-(2,5-diethylphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7854419
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7544118
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920438
[2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]acetate
CID 4785068
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-(1,3-benzodioxole-5-carbonylamino)acetate
CID 7883000

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The IUPAC name of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate (CID 7854462) is [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate.
What is the SMILES notation for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The canonical SMILES for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc1.
What is the InChIKey of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The InChIKey is FYBCVFFWZBORCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-19(2,3)14-8-6-13(7-9-14)18(24)21-11-17(23)25-12-16(22)15-5-4-10-20-15/h4-10,20H,11-12H2,1-3H3,(H,21,24).
What are the key properties of [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate?
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate has a molecular weight of 342.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate is sourced from PubChem (CID 7854462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).