N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide

C21H26N2O6 — CID 55344386

IUPACN-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C21H26N2O6/c1-6-23(13-18(24)22-14-8-7-9-15(12-14)26-2)21(25)16-10-11-17(27-3)20(29-5)19(16)28-4/h7-12H,6,13H2,1-5H3,(H,22,24)
InChIKeyMMVKWMIILVUTSQ-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.82
Rot. Bonds9

About N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide

N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide (PubChem CID 55344386) has the molecular formula C21H26N2O6 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
PubChem CID55344386
Molecular FormulaC21H26N2O6
Molecular Weight402.45 g/mol
Exact Mass402.18
IUPAC NameN-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(OC)c(OC)c1OC
InChIInChI=1S/C21H26N2O6/c1-6-23(13-18(24)22-14-8-7-9-15(12-14)26-2)21(25)16-10-11-17(27-3)20(29-5)19(16)28-4/h7-12H,6,13H2,1-5H3,(H,22,24)
InChIKeyMMVKWMIILVUTSQ-UHFFFAOYSA-N
XLogP2.82
TPSA86.33 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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 43011197
N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55383995
4-chloro-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 7958626
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 26353614
4-ethoxy-N-ethyl-5-methoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-nitrobenzamide
CID 34778054
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3,3-dimethylbutanamide
CID 43011201
2-[[2-(2-ethoxyphenoxy)acetyl]-ethylamino]-N-(3-methoxyphenyl)acetamide
CID 7958649
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2,3-dimethoxybenzamide
CID 78789446
2,4-dichloro-N-[2-[ethyl-[2-(3-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 30839710
3-(dipropylsulfamoyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 4832393
1-amino-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 119729055

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
The IUPAC name of N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide (CID 55344386) is N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
The canonical SMILES for N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccc(OC)c(OC)c1OC.
What is the InChIKey of N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
The InChIKey is MMVKWMIILVUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O6/c1-6-23(13-18(24)22-14-8-7-9-15(12-14)26-2)21(25)16-10-11-17(27-3)20(29-5)19(16)28-4/h7-12H,6,13H2,1-5H3,(H,22,24).
What are the key properties of N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide?
N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide has a molecular weight of 402.45 g/mol, XLogP of 2.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 55344386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).