3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide

C13H20N2O2 — CID 82724007

IUPAC3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
SMILESCC(C)(C)ONC(=O)CC(N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-15-12(16)9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)
InChIKeyHRZPETIBFLBSEP-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.92
Rot. Bonds4

About 3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide

3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide (PubChem CID 82724007) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
PubChem CID82724007
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide
SMILESCC(C)(C)ONC(=O)CC(N)c1ccccc1
InChIInChI=1S/C13H20N2O2/c1-13(2,3)17-15-12(16)9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16)
InChIKeyHRZPETIBFLBSEP-UHFFFAOYSA-N
XLogP1.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2-amino-2-methylpropyl)-3-phenylpropanamide
CID 122080831
3-amino-N-(3-methylpentan-3-yl)-3-phenylpropanamide;hydrochloride
CID 119951541
ethyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951175
methyl (2S)-2-[(3-amino-3-phenylpropanoyl)amino]propanoate
CID 43709430
3-[(3-amino-3-phenylpropanoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66175762
3-amino-N-(4-methoxy-4-methylpentan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119952044
3-amino-N-(3-methylbut-2-enyl)-3-phenylpropanamide
CID 114155639
3-amino-N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-phenylpropanamide;hydrochloride
CID 119950814
methyl 2-[(3-amino-3-phenylpropanoyl)amino]-2-methylpentanoate
CID 119950043
methanesulfonic acid;methyl 3-amino-3-phenylpropanoate
CID 86623650
methyl 3-[(3-amino-3-phenylpropanoyl)amino]-2-methylpropanoate
CID 119951074
2-(2-fluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724258

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide?
The IUPAC name of 3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide (CID 82724007) is 3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide?
The canonical SMILES for 3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide is CC(C)(C)ONC(=O)CC(N)c1ccccc1.
What is the InChIKey of 3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide?
The InChIKey is HRZPETIBFLBSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-13(2,3)17-15-12(16)9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3,(H,15,16).
What are the key properties of 3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide?
3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide has a molecular weight of 236.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-methylpropan-2-yl)oxy]-3-phenylpropanamide is sourced from PubChem (CID 82724007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).