3-hydroxy-4-methyl-3-propan-2-ylhexanamide

C10H21NO2 — CID 139781335

IUPAC3-hydroxy-4-methyl-3-propan-2-ylhexanamide
SMILESCCC(C)C(O)(CC(N)=O)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-8(4)10(13,7(2)3)6-9(11)12/h7-8,13H,5-6H2,1-4H3,(H2,11,12)
InChIKeyWPQZVPGFSMUCSN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.29
Rot. Bonds5

About 3-hydroxy-4-methyl-3-propan-2-ylhexanamide

3-hydroxy-4-methyl-3-propan-2-ylhexanamide (PubChem CID 139781335) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-3-propan-2-ylhexanamide.

Molecular Properties

Compound Name3-hydroxy-4-methyl-3-propan-2-ylhexanamide
PubChem CID139781335
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-hydroxy-4-methyl-3-propan-2-ylhexanamide
SMILESCCC(C)C(O)(CC(N)=O)C(C)C
InChIInChI=1S/C10H21NO2/c1-5-8(4)10(13,7(2)3)6-9(11)12/h7-8,13H,5-6H2,1-4H3,(H2,11,12)
InChIKeyWPQZVPGFSMUCSN-UHFFFAOYSA-N
XLogP1.29
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3,4-dimethylhexanamide
CID 165482291
3,4-dimethyl-3-propan-2-ylpentanamide
CID 89429040
(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
3-hydroxy-5-methyl-3-(2-methylpropyl)hexanamide
CID 139781275
3-(2-amino-2-oxoethyl)-3-methylpentanediamide
CID 86237649
diethyl 2-[(2R)-butan-2-yl]-2-chloropropanedioate
CID 640280
ethyl 2-ethyl-2-hydroxy-3-methylpentanoate
CID 79298792
2,3,3,4-tetramethylhexanamide
CID 90191700
3-acetamido-3-ethyl-4-methylpentanamide
CID 163651386
3,3-diethyl-5-hydroxypentanamide
CID 21402990
3-(1-aminoethyl)-3,4-dimethylhexanoic acid
CID 66096869

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-3-propan-2-ylhexanamide?
The IUPAC name of 3-hydroxy-4-methyl-3-propan-2-ylhexanamide (CID 139781335) is 3-hydroxy-4-methyl-3-propan-2-ylhexanamide.
What is the SMILES notation for 3-hydroxy-4-methyl-3-propan-2-ylhexanamide?
The canonical SMILES for 3-hydroxy-4-methyl-3-propan-2-ylhexanamide is CCC(C)C(O)(CC(N)=O)C(C)C.
What is the InChIKey of 3-hydroxy-4-methyl-3-propan-2-ylhexanamide?
The InChIKey is WPQZVPGFSMUCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-8(4)10(13,7(2)3)6-9(11)12/h7-8,13H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 3-hydroxy-4-methyl-3-propan-2-ylhexanamide?
3-hydroxy-4-methyl-3-propan-2-ylhexanamide has a molecular weight of 187.28 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-3-propan-2-ylhexanamide is sourced from PubChem (CID 139781335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).