N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide

C18H22N2O4 — CID 109009183

IUPACN-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O4/c1-4-24-15-8-5-13(6-9-15)19-12-18(21)20-14-7-10-16(22-2)17(11-14)23-3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyBRYIMROZEIPGNR-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.15
Rot. Bonds8

About N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide

N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide (PubChem CID 109009183) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
PubChem CID109009183
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide
SMILESCCOc1ccc(NCC(=O)Nc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C18H22N2O4/c1-4-24-15-8-5-13(6-9-15)19-12-18(21)20-14-7-10-16(22-2)17(11-14)23-3/h5-11,19H,4,12H2,1-3H3,(H,20,21)
InChIKeyBRYIMROZEIPGNR-UHFFFAOYSA-N
XLogP3.15
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3,4-dimethoxyphenyl)-2-(4-ethylanilino)acetamide
CID 37465407
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]benzoate
CID 109009646
N-(3,4-dimethoxyphenyl)-2-[(4-ethoxyphenyl)sulfonylamino]acetamide
CID 112999332
2-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 26437501
N-(3,4-dimethoxyphenyl)-N'-(4-ethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969501
N-(3,4-diethoxyphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362391
2-(4-acetamidoanilino)-N-(4-ethoxyphenyl)acetamide
CID 54808313
N-[4-[[2-(4-ethoxyanilino)acetyl]amino]phenyl]propanamide
CID 54811266
2-(4-ethoxyanilino)-N-[4-(2-methoxyethoxy)phenyl]acetamide
CID 54811661
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide (CID 109009183) is N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide is CCOc1ccc(NCC(=O)Nc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide?
The InChIKey is BRYIMROZEIPGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-24-15-8-5-13(6-9-15)19-12-18(21)20-14-7-10-16(22-2)17(11-14)23-3/h5-11,19H,4,12H2,1-3H3,(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide?
N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide has a molecular weight of 330.38 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(4-ethoxyanilino)acetamide is sourced from PubChem (CID 109009183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).