2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

C19H24N2O5 — CID 109009202

IUPAC2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O5/c1-5-26-15-8-6-13(7-9-15)20-12-18(22)21-14-10-16(23-2)19(25-4)17(11-14)24-3/h6-11,20H,5,12H2,1-4H3,(H,21,22)
InChIKeyYKYGFVDGDQMQAY-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.16
Rot. Bonds9

About 2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide

2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 109009202) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID109009202
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C19H24N2O5/c1-5-26-15-8-6-13(7-9-15)20-12-18(22)21-14-10-16(23-2)19(25-4)17(11-14)24-3/h6-11,20H,5,12H2,1-4H3,(H,21,22)
InChIKeyYKYGFVDGDQMQAY-UHFFFAOYSA-N
XLogP3.16
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
CID 109009183
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
N-(4-acetamidophenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 109010044
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
1-(4-ethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)thiourea
CID 2210976
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N-(4-phenoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362283
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
2-(3-propoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 55680128
2-(4-bromo-3-methylanilino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 26508863
N-(2,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 51178370

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide (CID 109009202) is 2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is CCOc1ccc(NCC(=O)Nc2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is YKYGFVDGDQMQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-5-26-15-8-6-13(7-9-15)20-12-18(22)21-14-10-16(23-2)19(25-4)17(11-14)24-3/h6-11,20H,5,12H2,1-4H3,(H,21,22).
What are the key properties of 2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 360.41 g/mol, XLogP of 3.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 109009202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).