2,2-dimethyl-3-(2-phenylethylamino)propanamide

C13H20N2O — CID 103617251

IUPAC2,2-dimethyl-3-(2-phenylethylamino)propanamide
SMILESCC(C)(CNCCc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-13(2,12(14)16)10-15-9-8-11-6-4-3-5-7-11/h3-7,15H,8-10H2,1-2H3,(H2,14,16)
InChIKeyLOXXSPWVJHSMDY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.33
Rot. Bonds6

About 2,2-dimethyl-3-(2-phenylethylamino)propanamide

2,2-dimethyl-3-(2-phenylethylamino)propanamide (PubChem CID 103617251) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-phenylethylamino)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-phenylethylamino)propanamide
PubChem CID103617251
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2,2-dimethyl-3-(2-phenylethylamino)propanamide
SMILESCC(C)(CNCCc1ccccc1)C(N)=O
InChIInChI=1S/C13H20N2O/c1-13(2,12(14)16)10-15-9-8-11-6-4-3-5-7-11/h3-7,15H,8-10H2,1-2H3,(H2,14,16)
InChIKeyLOXXSPWVJHSMDY-UHFFFAOYSA-N
XLogP1.33
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-methyl-1-(2-phenylethylamino)propan-2-yl] acetate
CID 150377351
3-[[2-(benzylamino)-2-oxoethyl]amino]-2,2-dimethylpropanamide
CID 106276098
3-[(2-amino-4-phenylbutanoyl)amino]-2,2-dimethylpropanamide
CID 106276438
2,2-dimethyl-3-[2-(4-propylphenyl)ethylamino]propanoic acid
CID 115136637
3-[(2-hydroxy-3-phenylmethoxypropyl)amino]-2,2-dimethylpropanamide
CID 106276229
(3S)-N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-methyl-5-phenylpentanamide
CID 95591362
2-N,2-N,2-trimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 28651842
3-[(2-hydroxyphenyl)methylamino]-2,2-dimethylpropanamide;hydrochloride
CID 115603008
N'-hydroxy-2,2-dimethyl-4-(2-phenylethylamino)butanimidamide
CID 77062131
3-[(3-bromophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582736
3-[(3-fluorophenyl)methylamino]-2,2-dimethylpropanamide
CID 115582738
3-[2-(4-tert-butylphenyl)ethylcarbamoylamino]-2,2-dimethylpropanamide
CID 87003610

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-phenylethylamino)propanamide?
The IUPAC name of 2,2-dimethyl-3-(2-phenylethylamino)propanamide (CID 103617251) is 2,2-dimethyl-3-(2-phenylethylamino)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(2-phenylethylamino)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(2-phenylethylamino)propanamide is CC(C)(CNCCc1ccccc1)C(N)=O.
What is the InChIKey of 2,2-dimethyl-3-(2-phenylethylamino)propanamide?
The InChIKey is LOXXSPWVJHSMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,12(14)16)10-15-9-8-11-6-4-3-5-7-11/h3-7,15H,8-10H2,1-2H3,(H2,14,16).
What are the key properties of 2,2-dimethyl-3-(2-phenylethylamino)propanamide?
2,2-dimethyl-3-(2-phenylethylamino)propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-phenylethylamino)propanamide is sourced from PubChem (CID 103617251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).