N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide

C21H28N2O6 — CID 55362391

IUPACN-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCCOc1ccc(NC(=O)CNc2cc(OC)c(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C21H28N2O6/c1-6-28-16-9-8-14(10-17(16)29-7-2)23-20(24)13-22-15-11-18(25-3)21(27-5)19(12-15)26-4/h8-12,22H,6-7,13H2,1-5H3,(H,23,24)
InChIKeyMXOMTLYBHGDAJZ-UHFFFAOYSA-N
MW404.46 g/mol
LogP3.56
Rot. Bonds11

About N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide

N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide (PubChem CID 55362391) has the molecular formula C21H28N2O6 and a molecular weight of 404.46 g/mol. Its IUPAC name is N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
PubChem CID55362391
Molecular FormulaC21H28N2O6
Molecular Weight404.46 g/mol
Exact Mass404.19
IUPAC NameN-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
SMILESCCOc1ccc(NC(=O)CNc2cc(OC)c(OC)c(OC)c2)cc1OCC
InChIInChI=1S/C21H28N2O6/c1-6-28-16-9-8-14(10-17(16)29-7-2)23-20(24)13-22-15-11-18(25-3)21(27-5)19(12-15)26-4/h8-12,22H,6-7,13H2,1-5H3,(H,23,24)
InChIKeyMXOMTLYBHGDAJZ-UHFFFAOYSA-N
XLogP3.56
TPSA87.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.46
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 109009202
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
2-(4-bromoanilino)-N-(3,4-diethoxyphenyl)acetamide
CID 9080322
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
N-(3,4-diethoxyphenyl)-2-(methylamino)acetamide
CID 2452186
N-(4-ethoxy-3-methoxyphenyl)-3-oxobutanamide
CID 18072376
2-amino-N-(4-ethoxy-3-methoxyphenyl)acetamide
CID 43708125
2-amino-N-(3-ethoxy-4-methoxyphenyl)acetamide
CID 43712593
N-(3-fluorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178406
N-(3-chlorophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78793058
N-(4-ethoxy-3-methoxyphenyl)-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531081
(E)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 43010379

Frequently Asked Questions

What is the IUPAC name of N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The IUPAC name of N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide (CID 55362391) is N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide.
What is the SMILES notation for N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The canonical SMILES for N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide is CCOc1ccc(NC(=O)CNc2cc(OC)c(OC)c(OC)c2)cc1OCC.
What is the InChIKey of N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
The InChIKey is MXOMTLYBHGDAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O6/c1-6-28-16-9-8-14(10-17(16)29-7-2)23-20(24)13-22-15-11-18(25-3)21(27-5)19(12-15)26-4/h8-12,22H,6-7,13H2,1-5H3,(H,23,24).
What are the key properties of N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide?
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide has a molecular weight of 404.46 g/mol, XLogP of 3.56, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide is sourced from PubChem (CID 55362391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).