4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

C21H26N2O6 — CID 55579899

IUPAC4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C21H26N2O6/c1-13(15-8-6-7-9-16(15)26-3)23(2)21(25)14-10-17(27-4)20(18(11-14)28-5)29-12-19(22)24/h6-11,13H,12H2,1-5H3,(H2,22,24)
InChIKeyDQHPSXYJXRJSTQ-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.41
Rot. Bonds9

About 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide

4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (PubChem CID 55579899) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
PubChem CID55579899
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC Name4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1
InChIInChI=1S/C21H26N2O6/c1-13(15-8-6-7-9-16(15)26-3)23(2)21(25)14-10-17(27-4)20(18(11-14)28-5)29-12-19(22)24/h6-11,13H,12H2,1-5H3,(H2,22,24)
InChIKeyDQHPSXYJXRJSTQ-UHFFFAOYSA-N
XLogP2.41
TPSA100.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 60736732
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 30100434
4-(2-amino-2-oxoethoxy)-N-[1-[2-[2-(dimethylamino)-2-oxoethoxy]phenyl]propyl]-3,5-dimethoxybenzamide
CID 55902194
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 26007829
4-(2-amino-2-oxoethoxy)-N-benzyl-3,5-dimethoxy-N-phenylbenzamide
CID 55429568
4-(2-amino-2-oxoethoxy)-N-(1-aminopropan-2-yl)-3-chloro-5-methoxy-N-methylbenzamide
CID 119584039
3-bromo-5-fluoro-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide
CID 55718913
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-phenyl-N-propan-2-ylbenzamide
CID 55920599
2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]-methylamino]-2-methylpropanoic acid
CID 119200187
3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
CID 55580515
4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide (CID 55579899) is 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is COc1ccccc1C(C)N(C)C(=O)c1cc(OC)c(OCC(N)=O)c(OC)c1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
The InChIKey is DQHPSXYJXRJSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-13(15-8-6-7-9-16(15)26-3)23(2)21(25)14-10-17(27-4)20(18(11-14)28-5)29-12-19(22)24/h6-11,13H,12H2,1-5H3,(H2,22,24).
What are the key properties of 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide?
4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide has a molecular weight of 402.45 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-3,5-dimethoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methylbenzamide is sourced from PubChem (CID 55579899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).