N-(4-hydroxybutan-2-yl)-2-methylpentanamide

C10H21NO2 — CID 81042782

IUPACN-(4-hydroxybutan-2-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC(C)CCO
InChIInChI=1S/C10H21NO2/c1-4-5-8(2)10(13)11-9(3)6-7-12/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyLVWCBHUTANRPTN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.31
Rot. Bonds6

About N-(4-hydroxybutan-2-yl)-2-methylpentanamide

N-(4-hydroxybutan-2-yl)-2-methylpentanamide (PubChem CID 81042782) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-(4-hydroxybutan-2-yl)-2-methylpentanamide.

Molecular Properties

Compound NameN-(4-hydroxybutan-2-yl)-2-methylpentanamide
PubChem CID81042782
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-(4-hydroxybutan-2-yl)-2-methylpentanamide
SMILESCCCC(C)C(=O)NC(C)CCO
InChIInChI=1S/C10H21NO2/c1-4-5-8(2)10(13)11-9(3)6-7-12/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyLVWCBHUTANRPTN-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-hydroxy-2-(2-methylpentanoylamino)butanoic acid
CID 61243280
2-methyl-N-propan-2-ylpentanamide
CID 4628268
N-(1-cyanopropan-2-yl)-2-methylpentanamide
CID 62094798
(2S)-3-hydroxy-2-(2-methylpentanoylamino)propanoic acid
CID 61151739
(2R)-2-amino-N-(4-hydroxybutan-2-yl)butanamide
CID 83177321
methyl (2S)-2-[[(2R)-2-methylpentanoyl]amino]pentanoate
CID 59054765
2-[[1-oxo-1-(pentan-2-ylamino)propan-2-yl]amino]propanoic acid
CID 43467311
3-methyl-2-(2-methylpentanoylamino)butanoic acid
CID 43209765
2-methylpentanehydrazide
CID 43183484
N-[(1S)-1-cyclopropylethyl]-2-methylpentanamide
CID 161003325
4-methyl-2-(2-methylpentanoylamino)pentanoic acid
CID 43209722
N-(4-hydroxybutan-2-yl)acetamide
CID 20609978

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxybutan-2-yl)-2-methylpentanamide?
The IUPAC name of N-(4-hydroxybutan-2-yl)-2-methylpentanamide (CID 81042782) is N-(4-hydroxybutan-2-yl)-2-methylpentanamide.
What is the SMILES notation for N-(4-hydroxybutan-2-yl)-2-methylpentanamide?
The canonical SMILES for N-(4-hydroxybutan-2-yl)-2-methylpentanamide is CCCC(C)C(=O)NC(C)CCO.
What is the InChIKey of N-(4-hydroxybutan-2-yl)-2-methylpentanamide?
The InChIKey is LVWCBHUTANRPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-8(2)10(13)11-9(3)6-7-12/h8-9,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of N-(4-hydroxybutan-2-yl)-2-methylpentanamide?
N-(4-hydroxybutan-2-yl)-2-methylpentanamide has a molecular weight of 187.28 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxybutan-2-yl)-2-methylpentanamide is sourced from PubChem (CID 81042782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).