N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide

C11H23NO2 — CID 97014441

IUPACN-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC[C@@H](O)C(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)5-6-11(14)12-7-10(13)9(3)4/h8-10,13H,5-7H2,1-4H3,(H,12,14)/t10-/m1/s1
InChIKeyZHQIXUMAIXBQER-SNVBAGLBSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds6

About N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide

N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide (PubChem CID 97014441) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
PubChem CID97014441
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
SMILESCC(C)CCC(=O)NC[C@@H](O)C(C)C
InChIInChI=1S/C11H23NO2/c1-8(2)5-6-11(14)12-7-10(13)9(3)4/h8-10,13H,5-7H2,1-4H3,(H,12,14)/t10-/m1/s1
InChIKeyZHQIXUMAIXBQER-SNVBAGLBSA-N
XLogP1.56
TPSA49.33 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 ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-hydroxy-3-methylbutyl]-4-methylpentanamide
CID 97014440
N-[(2S)-2-hydroxypropyl]-4-methylpentanamide
CID 83030953
3-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)propanamide
CID 115746120
N-(2-hydroxy-3-methylbutyl)propanamide
CID 115701495
N-(3-amino-2-hydroxy-3-oxopropyl)-4-methylpentanamide
CID 107261286
2-(dimethylamino)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115744584
(2-hydroxy-3-methylbutyl)carbamic acid
CID 135330394
N-(2-hydroxy-3-methylbutyl)-3-prop-2-ynoxypropanamide
CID 109478558
2-[(4-methylpentanoylamino)methyl]butanoic acid
CID 65218039
N-[2-(diethylamino)propyl]-4-methylpentanamide
CID 86982986
N-(2-aminobutyl)-4-methylpentanamide
CID 63730752
N-[(2R)-2-(ethylamino)propyl]-4-methylpentanamide;hydrochloride
CID 120650462

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide?
The IUPAC name of N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide (CID 97014441) is N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide.
What is the SMILES notation for N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide?
The canonical SMILES for N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide is CC(C)CCC(=O)NC[C@@H](O)C(C)C.
What is the InChIKey of N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide?
The InChIKey is ZHQIXUMAIXBQER-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H23NO2/c1-8(2)5-6-11(14)12-7-10(13)9(3)4/h8-10,13H,5-7H2,1-4H3,(H,12,14)/t10-/m1/s1.
What are the key properties of N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide?
N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide has a molecular weight of 201.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxy-3-methylbutyl]-4-methylpentanamide is sourced from PubChem (CID 97014441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).