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

C18H27NO2 — CID 159234420

IUPACN-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide
SMILESCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-5-6-12-16(20)19-15(17(21)18(2,3)4)13-14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyDIPUTTYVVWRHDB-OAHLLOKOSA-N
MW289.42 g/mol
LogP3.52
Rot. Bonds7

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

N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide (PubChem CID 159234420) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide.

Molecular Properties

Compound NameN-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide
PubChem CID159234420
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC NameN-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide
SMILESCCCCC(=O)N[C@H](Cc1ccccc1)C(=O)C(C)(C)C
InChIInChI=1S/C18H27NO2/c1-5-6-12-16(20)19-15(17(21)18(2,3)4)13-14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3,(H,19,20)/t15-/m1/s1
InChIKeyDIPUTTYVVWRHDB-OAHLLOKOSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.52
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]propanamide
CID 134192634
N-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pentanamide
CID 143986713
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
CID 160842704
CID 160842704
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]octadecanamide
CID 54545084
prop-2-enyl 2-(pentanoylamino)-3-phenylpropanoate
CID 67861490
methyl 3-phenyl-2-(tetradecanoylamino)propanoate
CID 54789812
methyl 2-(octanoylamino)-3-phenylpropanoate
CID 531518
N-[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 12049932

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide?
The IUPAC name of N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide (CID 159234420) is N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide.
What is the SMILES notation for N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide?
The canonical SMILES for N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide is CCCCC(=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]pentanamide?
The InChIKey is DIPUTTYVVWRHDB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27NO2/c1-5-6-12-16(20)19-15(17(21)18(2,3)4)13-14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3,(H,19,20)/t15-/m1/s1.
What are the key properties of N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide?
N-[(2R)-4,4-dimethyl-3-oxo-1-phenylpentan-2-yl]pentanamide has a molecular weight of 289.42 g/mol, XLogP of 3.52, 7 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]pentanamide is sourced from PubChem (CID 159234420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).