N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide

C20H26N2O3 — CID 54852668

IUPACN-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-13(25-16-9-6-14(7-10-16)20(2,3)4)19(23)22-17-11-8-15(21)12-18(17)24-5/h6-13H,21H2,1-5H3,(H,22,23)
InChIKeyMNONPFPNFPAJMU-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.98
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide

N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide (PubChem CID 54852668) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide
PubChem CID54852668
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C20H26N2O3/c1-13(25-16-9-6-14(7-10-16)20(2,3)4)19(23)22-17-11-8-15(21)12-18(17)24-5/h6-13H,21H2,1-5H3,(H,22,23)
InChIKeyMNONPFPNFPAJMU-UHFFFAOYSA-N
XLogP3.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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'}

Analyze N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide 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-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 54852607
N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 54852451
N-(5-amino-2-fluorophenyl)-2-(4-tert-butylphenoxy)propanamide
CID 46735854
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (2R)-2-(4-tert-butylphenoxy)propanoate
CID 8984850
N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66275206
(2R)-2-(4-tert-butylphenoxy)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7703445
(2S)-2-(4-tert-butylphenoxy)-N-(3,5-dimethoxyphenyl)propanamide
CID 8572754
N-(4-amino-2-chlorophenyl)-2-(4-chlorophenoxy)propanamide
CID 43078576
(2S)-N-(4-bromo-2-methylphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 7036907
(2R)-2-(4-tert-butylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 973325
(2R)-N-(2-methoxy-4-nitrophenyl)-2-(4-nitrophenoxy)propanamide
CID 7816909
N-(4-amino-2-methylphenyl)-2-(4-fluorophenoxy)propanamide
CID 16786087

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide (CID 54852668) is N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide is COc1cc(N)ccc1NC(=O)C(C)Oc1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide?
The InChIKey is MNONPFPNFPAJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-13(25-16-9-6-14(7-10-16)20(2,3)4)19(23)22-17-11-8-15(21)12-18(17)24-5/h6-13H,21H2,1-5H3,(H,22,23).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide?
N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide has a molecular weight of 342.44 g/mol, XLogP of 3.98, 5 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-(4-tert-butylphenoxy)propanamide is sourced from PubChem (CID 54852668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).