N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide

C18H22N2O2 — CID 16782919

IUPACN-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(N)cc1NC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-12(2)14-5-4-6-16(9-14)22-11-18(21)20-17-10-15(19)8-7-13(17)3/h4-10,12H,11,19H2,1-3H3,(H,20,21)
InChIKeyJSTCNDZZPADRHM-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.72
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide

N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 16782919) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID16782919
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(N)cc1NC(=O)COc1cccc(C(C)C)c1
InChIInChI=1S/C18H22N2O2/c1-12(2)14-5-4-6-16(9-14)22-11-18(21)20-17-10-15(19)8-7-13(17)3/h4-10,12H,11,19H2,1-3H3,(H,20,21)
InChIKeyJSTCNDZZPADRHM-UHFFFAOYSA-N
XLogP3.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(5-amino-2-methylphenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 120568802
N-(2-methyl-5-nitrophenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19176000
N-(2,5-dimethylphenyl)-2-[3-(1-hydroxyethyl)phenoxy]acetamide
CID 110884621
2-(3-aminophenoxy)-N-(3-propan-2-ylphenyl)acetamide
CID 61035869
2-[3-methyl-4-[[2-(3-propan-2-ylphenoxy)acetyl]amino]phenoxy]acetic acid
CID 119231617
N-(2-methyl-6-propan-2-ylphenyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 19175939
N-(5-amino-2-methylphenyl)-3-(3-methoxyphenyl)butanamide
CID 120568050
N-(5-amino-2-methylphenyl)-2-(3,4-dichlorophenoxy)acetamide
CID 60999928
N-(5-amino-2-methylphenyl)-2-(2,6-dibromophenoxy)acetamide
CID 29295025
N-[2-(4-methylanilino)phenyl]-2-(3-propan-2-ylphenoxy)acetamide
CID 108745039
N-(5-amino-2-methylphenyl)-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 120568903

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide (CID 16782919) is N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide is Cc1ccc(N)cc1NC(=O)COc1cccc(C(C)C)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is JSTCNDZZPADRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-12(2)14-5-4-6-16(9-14)22-11-18(21)20-17-10-15(19)8-7-13(17)3/h4-10,12H,11,19H2,1-3H3,(H,20,21).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide?
N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 16782919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).