N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide

C20H26N2O3 — CID 91689000

IUPACN-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(N)c1
InChIInChI=1S/C20H26N2O3/c1-5-24-16-10-11-18(17(21)12-16)22-19(23)13-25-15-8-6-14(7-9-15)20(2,3)4/h6-12H,5,13,21H2,1-4H3,(H,22,23)
InChIKeyJTLVRCICHZFCIH-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.98
Rot. Bonds6

About N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide

N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide (PubChem CID 91689000) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
PubChem CID91689000
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(N)c1
InChIInChI=1S/C20H26N2O3/c1-5-24-16-10-11-18(17(21)12-16)22-19(23)13-25-15-8-6-14(7-9-15)20(2,3)4/h6-12H,5,13,21H2,1-4H3,(H,22,23)
InChIKeyJTLVRCICHZFCIH-UHFFFAOYSA-N
XLogP3.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.98
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-(4-tert-butylphenoxy)acetamide
CID 91688991
N-(2-amino-4-ethoxyphenyl)propanamide
CID 83506350
N-(2-amino-4-ethoxyphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 91689021
N-(2-amino-4-ethoxyphenyl)-4-ethoxybenzamide
CID 91687646
N-(2-aminophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16782338
2-(4-tert-butylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 3380157
2-(4-tert-butylphenoxy)-N-(2-fluoro-4-iodophenyl)acetamide
CID 2979931
N-(4-bromo-2-iodophenyl)-2-(4-tert-butylphenoxy)acetamide
CID 3872466
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
N-(2-amino-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 43376437
N-[2-[(2S)-butan-2-yl]phenyl]-2-(4-tert-butylphenoxy)acetamide
CID 959855
N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
CID 50878680

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide (CID 91689000) is N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide is CCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(N)c1.
What is the InChIKey of N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is JTLVRCICHZFCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-5-24-16-10-11-18(17(21)12-16)22-19(23)13-25-15-8-6-14(7-9-15)20(2,3)4/h6-12H,5,13,21H2,1-4H3,(H,22,23).
What are the key properties of N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide?
N-(2-amino-4-ethoxyphenyl)-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 342.44 g/mol, XLogP of 3.98, 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-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 91689000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).