3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide

C11H23NO2 — CID 139781275

IUPAC3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide
SMILESCC(C)CC(O)(CC(N)=O)CC(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)5-11(14,6-9(3)4)7-10(12)13/h8-9,14H,5-7H2,1-4H3,(H2,12,13)
InChIKeyDTKIWKSWVCSRCK-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.69
Rot. Bonds6

About 3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide

3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide (PubChem CID 139781275) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide.

Molecular Properties

Compound Name3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide
PubChem CID139781275
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide
SMILESCC(C)CC(O)(CC(N)=O)CC(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)5-11(14,6-9(3)4)7-10(12)13/h8-9,14H,5-7H2,1-4H3,(H2,12,13)
InChIKeyDTKIWKSWVCSRCK-UHFFFAOYSA-N
XLogP1.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2,4-dimethylpentanamide
CID 14037824
4-methyl-2,2-bis(2-methylpropyl)pentanamide
CID 170848547
(2S)-2-ethyl-2-hydroxy-4-methylpentanamide
CID 175974916
3,4-dimethyl-3-propan-2-ylpentanamide
CID 89429040
3-hydroxy-4-methyl-3-propan-2-ylhexanamide
CID 139781335
3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
3-methylbutanamide
CID 87933309
(2S)-2,4-dimethyl-2-propan-2-ylpentanamide
CID 89006805
6-ethyl-2-methyl-4-(2-methylpropyl)octan-4-ol
CID 114865537
2-carbamoyl-2,4-dimethylpentanoic acid
CID 114899918
2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
(3S)-3-amino-5-methylhexane-1,3-diol
CID 130357952

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide?
The IUPAC name of 3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide (CID 139781275) is 3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide.
What is the SMILES notation for 3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide?
The canonical SMILES for 3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide is CC(C)CC(O)(CC(N)=O)CC(C)C.
What is the InChIKey of 3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide?
The InChIKey is DTKIWKSWVCSRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)5-11(14,6-9(3)4)7-10(12)13/h8-9,14H,5-7H2,1-4H3,(H2,12,13).
What are the key properties of 3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide?
3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide has a molecular weight of 201.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide is sourced from PubChem (CID 139781275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).