N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide

C18H22N2O3 — CID 91689021

IUPACN-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2c(C)cccc2C)c(N)c1
InChIInChI=1S/C18H22N2O3/c1-4-22-14-8-9-16(15(19)10-14)20-17(21)11-23-18-12(2)6-5-7-13(18)3/h5-10H,4,11,19H2,1-3H3,(H,20,21)
InChIKeyYZSMNELHIZGMEA-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.30
Rot. Bonds6

About N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide

N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide (PubChem CID 91689021) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
PubChem CID91689021
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2c(C)cccc2C)c(N)c1
InChIInChI=1S/C18H22N2O3/c1-4-22-14-8-9-16(15(19)10-14)20-17(21)11-23-18-12(2)6-5-7-13(18)3/h5-10H,4,11,19H2,1-3H3,(H,20,21)
InChIKeyYZSMNELHIZGMEA-UHFFFAOYSA-N
XLogP3.30
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-4-chlorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 28867327
N-(2-amino-4-bromophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 91689015
N-(2-amino-4-ethoxyphenyl)propanamide
CID 83506350
N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 91689000
2-(2,6-dimethylphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 834898
N-(2-aminophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16782338
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
2-(2,6-dimethylphenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 1020058
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
N-(2,5-difluorophenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 2711364
N-(5-chloro-2-hydroxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 838186
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide (CID 91689021) is N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide is CCOc1ccc(NC(=O)COc2c(C)cccc2C)c(N)c1.
What is the InChIKey of N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide?
The InChIKey is YZSMNELHIZGMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-4-22-14-8-9-16(15(19)10-14)20-17(21)11-23-18-12(2)6-5-7-13(18)3/h5-10H,4,11,19H2,1-3H3,(H,20,21).
What are the key properties of N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide?
N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide has a molecular weight of 314.39 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide is sourced from PubChem (CID 91689021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).