N-(4-aminophenyl)-3-methoxy-3-methylbutanamide

C12H18N2O2 — CID 103017558

IUPACN-(4-aminophenyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,16-3)8-11(15)14-10-6-4-9(13)5-7-10/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyUFBVOXSORSWOCA-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.02
Rot. Bonds4

About N-(4-aminophenyl)-3-methoxy-3-methylbutanamide

N-(4-aminophenyl)-3-methoxy-3-methylbutanamide (PubChem CID 103017558) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-methoxy-3-methylbutanamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-methoxy-3-methylbutanamide
PubChem CID103017558
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(4-aminophenyl)-3-methoxy-3-methylbutanamide
SMILESCOC(C)(C)CC(=O)Nc1ccc(N)cc1
InChIInChI=1S/C12H18N2O2/c1-12(2,16-3)8-11(15)14-10-6-4-9(13)5-7-10/h4-7H,8,13H2,1-3H3,(H,14,15)
InChIKeyUFBVOXSORSWOCA-UHFFFAOYSA-N
XLogP2.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(4-aminophenyl)-3-methoxy-3-methylbutanamide 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-(3-aminoprop-1-ynyl)phenyl]-3-methoxy-3-methylbutanamide
CID 103021938
propyl 4-[(3-methoxy-3-methylbutanoyl)amino]benzoate
CID 103021711
N-(4-bromo-3-chlorophenyl)-3-methoxy-3-methylbutanamide
CID 107143639
N-[3-(3-aminoprop-1-ynyl)-4-methylphenyl]-3-methoxy-3-methylbutanamide
CID 103021982
(E)-3-[5-[(3-methoxy-3-methylbutanoyl)amino]-2-methylphenyl]prop-2-enoic acid
CID 103022386
N-[3-(2-aminoethoxy)phenyl]-3-methoxy-3-methylbutanamide
CID 103017298
N-(4-aminophenyl)-2-(2-methoxyethoxy)acetamide;hydrochloride
CID 91844892
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
N,3-dimethoxy-3-methylbutanamide
CID 103021007
3-amino-3-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 64683934
3-methoxy-3-methyl-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910632

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-methoxy-3-methylbutanamide?
The IUPAC name of N-(4-aminophenyl)-3-methoxy-3-methylbutanamide (CID 103017558) is N-(4-aminophenyl)-3-methoxy-3-methylbutanamide.
What is the SMILES notation for N-(4-aminophenyl)-3-methoxy-3-methylbutanamide?
The canonical SMILES for N-(4-aminophenyl)-3-methoxy-3-methylbutanamide is COC(C)(C)CC(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-3-methoxy-3-methylbutanamide?
The InChIKey is UFBVOXSORSWOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,16-3)8-11(15)14-10-6-4-9(13)5-7-10/h4-7H,8,13H2,1-3H3,(H,14,15).
What are the key properties of N-(4-aminophenyl)-3-methoxy-3-methylbutanamide?
N-(4-aminophenyl)-3-methoxy-3-methylbutanamide has a molecular weight of 222.29 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-methoxy-3-methylbutanamide is sourced from PubChem (CID 103017558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).