2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide

C15H22N2O2 — CID 80556105

IUPAC2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(C)c2ccc(N)cc2)COC1
InChIInChI=1S/C15H22N2O2/c1-14(2,11-4-6-12(16)7-5-11)13(18)17-8-15(3)9-19-10-15/h4-7H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyFMARVWTVDGIVBJ-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.70
Rot. Bonds4

About 2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide

2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide (PubChem CID 80556105) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
PubChem CID80556105
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
SMILESCC1(CNC(=O)C(C)(C)c2ccc(N)cc2)COC1
InChIInChI=1S/C15H22N2O2/c1-14(2,11-4-6-12(16)7-5-11)13(18)17-8-15(3)9-19-10-15/h4-7H,8-10,16H2,1-3H3,(H,17,18)
InChIKeyFMARVWTVDGIVBJ-UHFFFAOYSA-N
XLogP1.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]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

3-(4-aminophenyl)-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 113290580
3-[[2-(4-aminophenyl)-2-methylpropanoyl]amino]-2,2-dimethylpropanoic acid
CID 115427853
2-(4-aminophenyl)-N-(3-hydroxypropyl)-2-methylpropanamide
CID 68786932
2-(4-aminophenyl)-2-methyl-N-(2,2,3,3-tetramethylcyclopropyl)propanamide
CID 80556193
2-(4-aminophenyl)-N-(2-methoxy-2-methylpropyl)-2-methylpropanamide
CID 104761269
2-(4-aminophenyl)-N-(3-hydroxybutyl)-2-methylpropanamide
CID 80556154
2-(4-aminophenyl)-N-(6-hydroxyhexyl)-2-methylpropanamide
CID 107842398
2-(4-aminophenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methylpropanamide
CID 106255526
2-(4-chlorophenoxy)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide
CID 78957606
2-(4-aminophenyl)-2-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 80556831
2-(4-aminophenyl)-2-methyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 80556800
2-(4-aminophenyl)-N-(2-cyclopropyl-2-hydroxyethyl)-2-methylpropanamide
CID 80556787

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The IUPAC name of 2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide (CID 80556105) is 2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide.
What is the SMILES notation for 2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The canonical SMILES for 2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide is CC1(CNC(=O)C(C)(C)c2ccc(N)cc2)COC1.
What is the InChIKey of 2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide?
The InChIKey is FMARVWTVDGIVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-14(2,11-4-6-12(16)7-5-11)13(18)17-8-15(3)9-19-10-15/h4-7H,8-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide?
2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide has a molecular weight of 262.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-2-methyl-N-[(3-methyloxetan-3-yl)methyl]propanamide is sourced from PubChem (CID 80556105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).