2,2-dimethyl-3-(1-phenylethylamino)propanamide

C13H20N2O — CID 115667918

IUPAC2,2-dimethyl-3-(1-phenylethylamino)propanamide
SMILESCC(NCC(C)(C)C(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(11-7-5-4-6-8-11)15-9-13(2,3)12(14)16/h4-8,10,15H,9H2,1-3H3,(H2,14,16)
InChIKeyHIKRGIDHUJTQKA-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.85
Rot. Bonds5

About 2,2-dimethyl-3-(1-phenylethylamino)propanamide

2,2-dimethyl-3-(1-phenylethylamino)propanamide (PubChem CID 115667918) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2,2-dimethyl-3-(1-phenylethylamino)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-3-(1-phenylethylamino)propanamide
PubChem CID115667918
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2,2-dimethyl-3-(1-phenylethylamino)propanamide
SMILESCC(NCC(C)(C)C(N)=O)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(11-7-5-4-6-8-11)15-9-13(2,3)12(14)16/h4-8,10,15H,9H2,1-3H3,(H2,14,16)
InChIKeyHIKRGIDHUJTQKA-UHFFFAOYSA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2,6-difluorophenyl)ethylamino]-2,2-dimethylpropanamide
CID 113383872
2,2-dimethyl-3-(1-phenylhexylamino)propanamide
CID 103917134
methyl 2-hydroxy-2-methyl-3-(1-phenylethylamino)propanoate
CID 104643578
2,2-dimethyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanamide
CID 103917195
2-phenyl-1-[[(1S)-1-phenylethyl]amino]propan-2-ol
CID 63868258
2,2-dimethyl-3-[1-(4-methylphenyl)ethylamino]propanoic acid
CID 79624776
3-[(2-chloro-2-phenylacetyl)amino]-2,2-dimethylpropanamide
CID 114167195
3-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2,2-dimethylpropanamide
CID 99821538
2,2-dimethyl-1-phenyl-N'-[(1R)-1-phenylethyl]propane-1,3-diamine
CID 59975349
3-[1-(5-bromofuran-2-yl)ethylamino]-2,2-dimethylpropanamide
CID 107093925
2,2-dimethyl-3-[[(2R)-2-phenylbutyl]carbamoylamino]propanamide
CID 95570545
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(1-phenylethylamino)propanamide?
The IUPAC name of 2,2-dimethyl-3-(1-phenylethylamino)propanamide (CID 115667918) is 2,2-dimethyl-3-(1-phenylethylamino)propanamide.
What is the SMILES notation for 2,2-dimethyl-3-(1-phenylethylamino)propanamide?
The canonical SMILES for 2,2-dimethyl-3-(1-phenylethylamino)propanamide is CC(NCC(C)(C)C(N)=O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-(1-phenylethylamino)propanamide?
The InChIKey is HIKRGIDHUJTQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(11-7-5-4-6-8-11)15-9-13(2,3)12(14)16/h4-8,10,15H,9H2,1-3H3,(H2,14,16).
What are the key properties of 2,2-dimethyl-3-(1-phenylethylamino)propanamide?
2,2-dimethyl-3-(1-phenylethylamino)propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(1-phenylethylamino)propanamide is sourced from PubChem (CID 115667918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).