N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide

C21H26N2O5 — CID 51308652

IUPACN-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC(C(N)=O)c2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C21H26N2O5/c1-4-26-16-12-15(13-17(27-5-2)19(16)28-6-3)21(25)23-18(20(22)24)14-10-8-7-9-11-14/h7-13,18H,4-6H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyZUJJEWXXHRWOGT-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.84
Rot. Bonds10

About N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide

N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide (PubChem CID 51308652) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
PubChem CID51308652
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NC(C(N)=O)c2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C21H26N2O5/c1-4-26-16-12-15(13-17(27-5-2)19(16)28-6-3)21(25)23-18(20(22)24)14-10-8-7-9-11-14/h7-13,18H,4-6H2,1-3H3,(H2,22,24)(H,23,25)
InChIKeyZUJJEWXXHRWOGT-UHFFFAOYSA-N
XLogP2.84
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-oxo-1-phenylethyl)-3-chloro-5-ethoxy-4-propoxybenzamide
CID 51308756
N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
CID 119527990
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
CID 46483385
3,4,5-triethoxy-N-[(R)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8820643
3,4,5-triethoxy-N-[(S)-furan-2-yl(phenyl)methyl]benzamide
CID 8928137
N-(2-amino-2-oxo-1-phenylethyl)-4-methoxybenzamide
CID 51315270
2-[(3-ethoxybenzoyl)amino]-2-phenylacetic acid
CID 108801730
N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
CID 7944603
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-triethoxybenzoate
CID 7860421
(2S)-2-[(3-ethoxy-4-propoxybenzoyl)amino]-2-phenylacetic acid
CID 119372647
ethyl 3-benzamido-2-oxo-3-phenylpropanoate
CID 11809094

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide (CID 51308652) is N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NC(C(N)=O)c2ccccc2)cc(OCC)c1OCC.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide?
The InChIKey is ZUJJEWXXHRWOGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-4-26-16-12-15(13-17(27-5-2)19(16)28-6-3)21(25)23-18(20(22)24)14-10-8-7-9-11-14/h7-13,18H,4-6H2,1-3H3,(H2,22,24)(H,23,25).
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide?
N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide has a molecular weight of 386.45 g/mol, XLogP of 2.84, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 51308652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).