N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide

C16H23NO2 — CID 134192634

IUPACN-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide
SMILESCCC(=O)N[C@H](Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H23NO2/c1-5-14(18)17-13(15(19)16(2,3)4)11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyZFDKVUJIXIEOAJ-CYBMUJFWSA-N
MW261.37 g/mol
LogP2.74
Rot. Bonds5

About N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide

N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide (PubChem CID 134192634) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide
PubChem CID134192634
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide
SMILESCCC(=O)N[C@H](Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C16H23NO2/c1-5-14(18)17-13(15(19)16(2,3)4)11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,17,18)/t13-/m1/s1
InChIKeyZFDKVUJIXIEOAJ-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 ≤ 500261.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide
CID 159234420
N-[(2S)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67616558
benzyl N-(4,4-dimethyl-3-oxo-1-phenylpentan-2-yl)carbamate
CID 59862824
N-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)propanamide
CID 4268964
(2S)-3-phenyl-2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]propanoic acid
CID 11451475
2,2-dimethyl-N-[(2R)-3-oxo-1-phenylpentan-2-yl]propanamide
CID 67704235
2-[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]acetic acid
CID 11265903
N-[(2S)-1-phenylpropan-2-yl]propanamide
CID 102304952
[[(2S)-3-phenyl-2-(propanoylamino)propanoyl]amino]methylboronic acid
CID 176980947
2-chloro-4,4-dimethyl-1-phenylpentan-3-one
CID 82184980
[(2S)-4,4,4-trichloro-3-oxo-1-phenylbutan-2-yl]carbamic acid
CID 20638357
2-(2,2-dimethylbutanoylamino)-3-phenylpropanoic acid
CID 55102814

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide?
The IUPAC name of N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide (CID 134192634) is N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide.
What is the SMILES notation for N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide?
The canonical SMILES for N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide is CCC(=O)N[C@H](Cc1ccccc1)C(=O)C(C)(C)C.
What is the InChIKey of N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide?
The InChIKey is ZFDKVUJIXIEOAJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23NO2/c1-5-14(18)17-13(15(19)16(2,3)4)11-12-9-7-6-8-10-12/h6-10,13H,5,11H2,1-4H3,(H,17,18)/t13-/m1/s1.
What are the key properties of N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide?
N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide has a molecular weight of 261.37 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 N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]propanamide is sourced from PubChem (CID 134192634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).