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

C21H24N2O4 — CID 113178821

IUPACethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(N(CC(=O)NC(C)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C21H24N2O4/c1-4-27-21(26)18-10-12-19(13-11-18)23(16(3)24)14-20(25)22-15(2)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,22,25)
InChIKeySKBOOYWFDPTPPJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.09
Rot. Bonds7

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

ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate (PubChem CID 113178821) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
PubChem CID113178821
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Nameethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccc(N(CC(=O)NC(C)c2ccccc2)C(C)=O)cc1
InChIInChI=1S/C21H24N2O4/c1-4-27-21(26)18-10-12-19(13-11-18)23(16(3)24)14-20(25)22-15(2)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,22,25)
InChIKeySKBOOYWFDPTPPJ-UHFFFAOYSA-N
XLogP3.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[N-acetyl-4-(diethylamino)anilino]-N-(1-phenylethyl)acetamide
CID 113176846
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(diethylamino)benzoate
CID 2515023
2-(N-acetyl-3,4-dichloroanilino)-N-(1-phenylethyl)acetamide
CID 113179432
2-(N-acetyl-4-piperidin-1-ylanilino)-N-(1-phenylethyl)acetamide
CID 113177113
ethyl 4-(1-benzamidoethyl)benzoate
CID 164679165
ethyl 4-[acetyl-[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzoate
CID 113178795
2-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(1-phenylethyl)acetamide
CID 113178241
ethyl 4-[acetyl-[2-(4-fluoroanilino)-2-oxoethyl]amino]benzoate
CID 113178882
ethyl 4-[[2-(N-acetyl-4-chloroanilino)acetyl]amino]benzoate
CID 113171636
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-acetamidobenzoate
CID 7654320
ethyl 4-[acetyl-[3-oxo-3-(2-propan-2-ylanilino)propyl]amino]benzoate
CID 113133362
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-bromobenzoate
CID 2625805

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate?
The IUPAC name of ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate (CID 113178821) is ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate?
The canonical SMILES for ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate is CCOC(=O)c1ccc(N(CC(=O)NC(C)c2ccccc2)C(C)=O)cc1.
What is the InChIKey of ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate?
The InChIKey is SKBOOYWFDPTPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-4-27-21(26)18-10-12-19(13-11-18)23(16(3)24)14-20(25)22-15(2)17-8-6-5-7-9-17/h5-13,15H,4,14H2,1-3H3,(H,22,25).
What are the key properties of ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate?
ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate has a molecular weight of 368.43 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[acetyl-[2-oxo-2-(1-phenylethylamino)ethyl]amino]benzoate is sourced from PubChem (CID 113178821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).