N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide

C11H21NO3 — CID 171807744

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide
SMILESCCC(=O)CCCC(=O)NC(C)(C)CO
InChIInChI=1S/C11H21NO3/c1-4-9(14)6-5-7-10(15)12-11(2,3)8-13/h13H,4-8H2,1-3H3,(H,12,15)
InChIKeySRGUTILDEKYJCA-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.02
Rot. Bonds7

About N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide

N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide (PubChem CID 171807744) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide
PubChem CID171807744
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide
SMILESCCC(=O)CCCC(=O)NC(C)(C)CO
InChIInChI=1S/C11H21NO3/c1-4-9(14)6-5-7-10(15)12-11(2,3)8-13/h13H,4-8H2,1-3H3,(H,12,15)
InChIKeySRGUTILDEKYJCA-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-2-methylpropan-2-yl)dodecanamide
CID 13410459
7-amino-N-(1-hydroxy-2-methylpropan-2-yl)heptanamide
CID 43500036
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 61251175
(2S)-4-hydroxy-2-methyl-2-(6-oxooctanoylamino)butanoic acid
CID 142037846
4-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 79204830
heptadecane-3,7,11,15-tetrone
CID 160942813
3-(cyclopropylamino)-N-(1-hydroxy-2-methylpropan-2-yl)propanamide
CID 60841584
5-oxoheptanamide
CID 54102648
1-hydroxydodecane-2,10-dione
CID 158814981
N,N'-ditert-butylhexanediamide
CID 3593481
N-(1-hydroxy-2-methylpropan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43500828
N-tert-butyl-4-hydroxybutanamide
CID 11829724

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide (CID 171807744) is N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide is CCC(=O)CCCC(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide?
The InChIKey is SRGUTILDEKYJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-9(14)6-5-7-10(15)12-11(2,3)8-13/h13H,4-8H2,1-3H3,(H,12,15).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide?
N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide has a molecular weight of 215.29 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-5-oxoheptanamide is sourced from PubChem (CID 171807744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).