[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate

C21H22N2O4 — CID 18085650

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCC(NC(=O)COC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-14(15-5-3-2-4-6-15)22-19(24)13-27-21(26)17-9-11-18(12-10-17)23-20(25)16-7-8-16/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyMXVBRIVOTAITHT-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.07
Rot. Bonds7

About [2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate

[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 18085650) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
PubChem CID18085650
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate
SMILESCC(NC(=O)COC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1
InChIInChI=1S/C21H22N2O4/c1-14(15-5-3-2-4-6-15)22-19(24)13-27-21(26)17-9-11-18(12-10-17)23-20(25)16-7-8-16/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyMXVBRIVOTAITHT-UHFFFAOYSA-N
XLogP3.07
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate with MolForge

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Related Compounds

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320
[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl] 3-(cyclopropanecarbonylamino)benzoate
CID 55338879
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805
N-[4-[1-[[2-(2-methylphenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595082
N-[4-[1-[[2-(2-chlorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021116
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(diethylamino)benzoate
CID 2515023
N-[4-[1-[[2-(2-fluorophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021118
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] pyridine-4-carboxylate
CID 7783953
N-[4-[1-[[2-(2-cyanophenoxy)acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 134021122
N-[4-[1-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 55618064
N-[4-[1-[[2-[(2,2,2-trifluoro-1-phenylethyl)amino]acetyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 86860974
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(phenylsulfamoyl)benzoate
CID 55313712

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate (CID 18085650) is [2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate is CC(NC(=O)COC(=O)c1ccc(NC(=O)C2CC2)cc1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is MXVBRIVOTAITHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-14(15-5-3-2-4-6-15)22-19(24)13-27-21(26)17-9-11-18(12-10-17)23-20(25)16-7-8-16/h2-6,9-12,14,16H,7-8,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate?
[2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 366.42 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 18085650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).