3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide

C17H20N2O2 — CID 61035217

IUPAC3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide
SMILESCC(C)(COc1ccc(N)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-17(2,12-21-15-10-8-13(18)9-11-15)16(20)19-14-6-4-3-5-7-14/h3-11H,12,18H2,1-2H3,(H,19,20)
InChIKeyZDPPUBPWLBXFBS-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.31
Rot. Bonds5

About 3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide

3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide (PubChem CID 61035217) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide
PubChem CID61035217
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide
SMILESCC(C)(COc1ccc(N)cc1)C(=O)Nc1ccccc1
InChIInChI=1S/C17H20N2O2/c1-17(2,12-21-15-10-8-13(18)9-11-15)16(20)19-14-6-4-3-5-7-14/h3-11H,12,18H2,1-2H3,(H,19,20)
InChIKeyZDPPUBPWLBXFBS-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.31
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'}

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Related Compounds

3-methoxy-2,2-dimethyl-N-phenylpropanamide
CID 70245295
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
2,2-dimethyl-3-(4-phenylphenoxy)propanehydrazide
CID 79629052
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
2,2-bis(4-aminophenyl)-2-hydroxy-N-phenylacetamide
CID 139899649
3-(4-aminophenoxy)-2-hydroxy-2-methylpropanoic acid
CID 86092479
3-amino-N-(4-ethoxyphenyl)-2,2-dimethylpropanamide;hydrochloride
CID 119670707
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-hexadecamethyl-1-N,3-N,5-N,7-N,9-N,11-N,13-N,15-N,17-N,19-N,21-N,23-N,25-N,27-N,29-N-pentadecakis-phenyltriacontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29-pentadecacarboxamide
CID 88975553
5-anilino-4,4-dimethyl-5-oxopentanoic acid
CID 826118
3-chloro-2-methyl-2-phenoxy-N-phenylpropanamide
CID 70262105
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 58594527
2-(4-tert-butylphenoxy)-N-phenylacetamide
CID 963342

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide?
The IUPAC name of 3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide (CID 61035217) is 3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide?
The canonical SMILES for 3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide is CC(C)(COc1ccc(N)cc1)C(=O)Nc1ccccc1.
What is the InChIKey of 3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide?
The InChIKey is ZDPPUBPWLBXFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,12-21-15-10-8-13(18)9-11-15)16(20)19-14-6-4-3-5-7-14/h3-11H,12,18H2,1-2H3,(H,19,20).
What are the key properties of 3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide?
3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide has a molecular weight of 284.36 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-2,2-dimethyl-N-phenylpropanamide is sourced from PubChem (CID 61035217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).