2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide

C16H23NO2 — CID 67704235

IUPAC2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide
SMILESCCC(=O)[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C16H23NO2/c1-5-14(18)13(17-15(19)16(2,3)4)11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,17,19)/t13-/m1/s1
InChIKeyMLTNKCUBNYBKNG-CYBMUJFWSA-N
MW261.36 g/mol
LogP2.74
Rot. Bonds5

About 2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide

2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide (PubChem CID 67704235) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide
PubChem CID67704235
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide
SMILESCCC(=O)[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C
InChIInChI=1S/C16H23NO2/c1-5-14(18)13(17-15(19)16(2,3)4)11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,17,19)/t13-/m1/s1
InChIKeyMLTNKCUBNYBKNG-CYBMUJFWSA-N
XLogP2.74
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67616558
tert-butyl N-(3-oxo-1-phenylpentan-2-yl)carbamate
CID 20726658
2-(2,2-dimethylpropanoylamino)-3-phenylpropanoyl chloride;propan-2-one
CID 174435245
2,2-dimethyl-N-[1-oxo-3-phenyl-1-(1-phenylethylamino)propan-2-yl]propanamide
CID 59684320
N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide
CID 134192634
2-(2,2-dimethylbutanoylamino)-3-phenylpropanoic acid
CID 55102814
N-[(1S)-1,2-diphenylethyl]-2,2-dimethylpropanamide
CID 41097241
N-[(2S)-1-[2-(2,2-dimethylpropylamino)ethylamino]-1-oxo-3-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 164831418
2-[(2-amino-2-methylpropanoyl)amino]-3-phenylpropanoic acid
CID 61265643
2-(2,2-dimethylpropanoylamino)-3-(4-hydroxyphenyl)propanoic acid
CID 16770506
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118
molecular hydrogen;1-phenyl-2-(propan-2-ylamino)pentan-3-one
CID 176556293

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide (CID 67704235) is 2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide is CCC(=O)[C@@H](Cc1ccccc1)NC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide?
The InChIKey is MLTNKCUBNYBKNG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-14(18)13(17-15(19)16(2,3)4)11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,17,19)/t13-/m1/s1.
What are the key properties of 2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide?
2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide has a molecular weight of 261.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide is sourced from PubChem (CID 67704235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).