N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide

C19H22N2O7 — CID 55744161

IUPACN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)cc1OC
InChIInChI=1S/C19H22N2O7/c1-24-13-6-5-11(7-17(13)28-10-18(20)22)21-19(23)12-8-15(26-3)16(27-4)9-14(12)25-2/h5-9H,10H2,1-4H3,(H2,20,22)(H,21,23)
InChIKeyYYDACJHHXYNBGG-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.84
Rot. Bonds9

About N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide

N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide (PubChem CID 55744161) has the molecular formula C19H22N2O7 and a molecular weight of 390.39 g/mol. Its IUPAC name is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
PubChem CID55744161
Molecular FormulaC19H22N2O7
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC NameN-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide
SMILESCOc1cc(OC)c(C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)cc1OC
InChIInChI=1S/C19H22N2O7/c1-24-13-6-5-11(7-17(13)28-10-18(20)22)21-19(23)12-8-15(26-3)16(27-4)9-14(12)25-2/h5-9H,10H2,1-4H3,(H2,20,22)(H,21,23)
InChIKeyYYDACJHHXYNBGG-UHFFFAOYSA-N
XLogP1.84
TPSA118.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxy-3-methoxyphenyl)-2,4,5-trimethoxybenzamide
CID 9103295
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-anilinobenzamide
CID 55843901
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 47057728
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1-(4-chlorophenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 60555017
N-(4-ethoxyphenyl)-2,4,5-trimethoxybenzamide
CID 912703
1-amino-N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 119286080
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-1H-indole-6-carboxamide
CID 51087336
4-amino-N-(3,4-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 81239196
2,4,5-trimethoxy-N-[4-(2-methylprop-2-enoxy)phenyl]benzamide
CID 131949452
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxamide
CID 55783973
N-(3,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 18105958
4-(2-amino-2-oxoethoxy)-N-(3-chlorophenyl)-3-methoxybenzamide
CID 9072187

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide?
The IUPAC name of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide (CID 55744161) is N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide?
The canonical SMILES for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide is COc1cc(OC)c(C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)cc1OC.
What is the InChIKey of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide?
The InChIKey is YYDACJHHXYNBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7/c1-24-13-6-5-11(7-17(13)28-10-18(20)22)21-19(23)12-8-15(26-3)16(27-4)9-14(12)25-2/h5-9H,10H2,1-4H3,(H2,20,22)(H,21,23).
What are the key properties of N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide?
N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide has a molecular weight of 390.39 g/mol, XLogP of 1.84, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-2,4,5-trimethoxybenzamide is sourced from PubChem (CID 55744161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).