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

C21H28N2O4 — CID 119527990

IUPACN-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCC(N)c2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O4/c1-4-25-18-12-16(13-19(26-5-2)20(18)27-6-3)21(24)23-14-17(22)15-10-8-7-9-11-15/h7-13,17H,4-6,14,22H2,1-3H3,(H,23,24)
InChIKeyWGVIJFQBJNYLCN-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.31
Rot. Bonds10

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

N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide (PubChem CID 119527990) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
PubChem CID119527990
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC NameN-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)NCC(N)c2ccccc2)cc(OCC)c1OCC
InChIInChI=1S/C21H28N2O4/c1-4-25-18-12-16(13-19(26-5-2)20(18)27-6-3)21(24)23-14-17(22)15-10-8-7-9-11-15/h7-13,17H,4-6,14,22H2,1-3H3,(H,23,24)
InChIKeyWGVIJFQBJNYLCN-UHFFFAOYSA-N
XLogP3.31
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119527394
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide
CID 119528578
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride
CID 119528577
4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473
N-(2-amino-2-oxo-1-phenylethyl)-3,4,5-triethoxybenzamide
CID 51308652
3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119527646
methyl 3-phenyl-3-[(3,4,5-triethoxybenzoyl)amino]propanoate
CID 46483385
3,4,5-triethoxy-N-(2-phenylsulfanylethyl)benzamide
CID 27677815
3,4,5-triethoxy-N-[2-methoxy-2-(3-methoxyphenyl)ethyl]benzamide
CID 90623404
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-phenylethyl)-5-ethoxy-4-methoxy-2-nitrobenzamide
CID 119527730

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide (CID 119527990) is N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)NCC(N)c2ccccc2)cc(OCC)c1OCC.
What is the InChIKey of N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide?
The InChIKey is WGVIJFQBJNYLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-4-25-18-12-16(13-19(26-5-2)20(18)27-6-3)21(24)23-14-17(22)15-10-8-7-9-11-15/h7-13,17H,4-6,14,22H2,1-3H3,(H,23,24).
What are the key properties of N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide?
N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide has a molecular weight of 372.47 g/mol, XLogP of 3.31, 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-phenylethyl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 119527990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).