N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide

C19H24N2O3 — CID 50878680

IUPACN-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1N
InChIInChI=1S/C19H24N2O3/c1-19(2,3)13-5-8-15(9-6-13)24-12-18(22)21-14-7-10-17(23-4)16(20)11-14/h5-11H,12,20H2,1-4H3,(H,21,22)
InChIKeyNJJHIWRSEUHQJY-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.59
Rot. Bonds5

About N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide

N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide (PubChem CID 50878680) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
PubChem CID50878680
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC NameN-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide
SMILESCOc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1N
InChIInChI=1S/C19H24N2O3/c1-19(2,3)13-5-8-15(9-6-13)24-12-18(22)21-14-7-10-17(23-4)16(20)11-14/h5-11H,12,20H2,1-4H3,(H,21,22)
InChIKeyNJJHIWRSEUHQJY-UHFFFAOYSA-N
XLogP3.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.59
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-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-(2-amino-4-methoxy-1,3-benzothiazol-6-yl)-2-(4-tert-butylphenoxy)acetamide
CID 91680807
N-[(3-bromo-4-methoxyphenyl)carbamothioyl]-2-(4-tert-butylphenoxy)acetamide
CID 5090220
N-(3-chloro-4-methoxyphenyl)-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 19174245
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
2-(3-tert-butylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 112977639
methyl 4-[[2-(4-tert-butylphenoxy)acetyl]amino]benzoate
CID 710358
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342
2-(4-bromophenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 2303718
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 4-tert-butylbenzoate
CID 7814936
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide (CID 50878680) is N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide is COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide?
The InChIKey is NJJHIWRSEUHQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-19(2,3)13-5-8-15(9-6-13)24-12-18(22)21-14-7-10-17(23-4)16(20)11-14/h5-11H,12,20H2,1-4H3,(H,21,22).
What are the key properties of N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide?
N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide has a molecular weight of 328.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-2-(4-tert-butylphenoxy)acetamide is sourced from PubChem (CID 50878680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).