3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide

C21H26N2O7 — CID 46423426

IUPAC3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(OCCNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H26N2O7/c1-26-15-6-5-7-16(12-15)30-9-8-22-19(24)13-23-21(25)14-10-17(27-2)20(29-4)18(11-14)28-3/h5-7,10-12H,8-9,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDLWXWDROPGADCM-UHFFFAOYSA-N
MW418.45 g/mol
LogP1.65
Rot. Bonds11

About 3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide

3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide (PubChem CID 46423426) has the molecular formula C21H26N2O7 and a molecular weight of 418.45 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
PubChem CID46423426
Molecular FormulaC21H26N2O7
Molecular Weight418.45 g/mol
Exact Mass418.17
IUPAC Name3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
SMILESCOc1cccc(OCCNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1
InChIInChI=1S/C21H26N2O7/c1-26-15-6-5-7-16(12-15)30-9-8-22-19(24)13-23-21(25)14-10-17(27-2)20(29-4)18(11-14)28-3/h5-7,10-12H,8-9,13H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyDLWXWDROPGADCM-UHFFFAOYSA-N
XLogP1.65
TPSA104.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,3-dimethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113101923
2-iodo-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 55586921
N-[2-(3-methoxyphenoxy)ethyl]-3,4-dimethylbenzamide
CID 94051659
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methoxyphenyl)acetamide
CID 46399940
4-methoxy-N-[2-oxo-2-[2-[3-(trifluoromethyl)phenoxy]ethylamino]ethyl]benzamide
CID 47059239
N-[2-(3-ethoxyphenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113100586
3-chloro-N-[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide
CID 24637931
N-[2-(4-chlorophenoxy)ethyl]-3,4,5-trimethoxybenzamide
CID 2295339
N-[2-(3-bromophenoxy)ethyl]-3,5-dimethoxybenzamide
CID 113099639
N-[2-[3-(dimethylamino)propylamino]-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 112991569
3,5-dimethyl-N-[2-[3-(3-methylphenoxy)propylamino]-2-oxoethyl]benzamide
CID 24552780
N-[2-(3-methoxyphenoxy)ethyl]-3,5-dinitrobenzamide
CID 580265

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide (CID 46423426) is 3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide is COc1cccc(OCCNC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c1.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
The InChIKey is DLWXWDROPGADCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O7/c1-26-15-6-5-7-16(12-15)30-9-8-22-19(24)13-23-21(25)14-10-17(27-2)20(29-4)18(11-14)28-3/h5-7,10-12H,8-9,13H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of 3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide?
3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide has a molecular weight of 418.45 g/mol, XLogP of 1.65, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[2-[2-(3-methoxyphenoxy)ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46423426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).