N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide

C18H22N2O3 — CID 54852575

IUPACN-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(N)ccc1NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C18H22N2O3/c1-12(2)14-6-4-5-7-16(14)23-11-18(21)20-15-9-8-13(19)10-17(15)22-3/h4-10,12H,11,19H2,1-3H3,(H,20,21)
InChIKeyKNXSOTHRIIZTIV-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.42
Rot. Bonds6

About N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide

N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide (PubChem CID 54852575) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
PubChem CID54852575
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
SMILESCOc1cc(N)ccc1NC(=O)COc1ccccc1C(C)C
InChIInChI=1S/C18H22N2O3/c1-12(2)14-6-4-5-7-16(14)23-11-18(21)20-15-9-8-13(19)10-17(15)22-3/h4-10,12H,11,19H2,1-3H3,(H,20,21)
InChIKeyKNXSOTHRIIZTIV-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromo-2,5-dimethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 19170128
2-(5-amino-2-bromophenoxy)-N-(2-methoxyphenyl)acetamide
CID 103008653
ethyl 5-chloro-2-methoxy-4-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19228034
2-[[2-(2-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 833595
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-(2-propan-2-ylphenoxy)acetate
CID 7903856
N-(2-methoxy-5-nitrophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 927147
N-(2-iodophenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 7900625
2-(2-hydroxyphenoxy)-N-(2-propan-2-ylphenyl)acetamide
CID 78781647
N-(2-phenylmethoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide
CID 17093436
N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-yloxyethoxy)acetamide
CID 18070547
N-(2,4-dimethoxyphenyl)-2-(2-ethoxyphenoxy)acetamide
CID 7930919
1-N',5-N'-bis[2-(2-propan-2-ylphenoxy)acetyl]pentanedihydrazide
CID 3554714

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide (CID 54852575) is N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide is COc1cc(N)ccc1NC(=O)COc1ccccc1C(C)C.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
The InChIKey is KNXSOTHRIIZTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12(2)14-6-4-5-7-16(14)23-11-18(21)20-15-9-8-13(19)10-17(15)22-3/h4-10,12H,11,19H2,1-3H3,(H,20,21).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide?
N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide has a molecular weight of 314.39 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-(2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 54852575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).