N-butan-2-yl-5-hydroxy-N-methylpentanamide

C10H21NO2 — CID 79199606

IUPACN-butan-2-yl-5-hydroxy-N-methylpentanamide
SMILESCCC(C)N(C)C(=O)CCCCO
InChIInChI=1S/C10H21NO2/c1-4-9(2)11(3)10(13)7-5-6-8-12/h9,12H,4-8H2,1-3H3
InChIKeyFMYAZUJFZCVDCM-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.41
Rot. Bonds6

About N-butan-2-yl-5-hydroxy-N-methylpentanamide

N-butan-2-yl-5-hydroxy-N-methylpentanamide (PubChem CID 79199606) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-butan-2-yl-5-hydroxy-N-methylpentanamide.

Molecular Properties

Compound NameN-butan-2-yl-5-hydroxy-N-methylpentanamide
PubChem CID79199606
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-butan-2-yl-5-hydroxy-N-methylpentanamide
SMILESCCC(C)N(C)C(=O)CCCCO
InChIInChI=1S/C10H21NO2/c1-4-9(2)11(3)10(13)7-5-6-8-12/h9,12H,4-8H2,1-3H3
InChIKeyFMYAZUJFZCVDCM-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-hydroxy-N-methylpentanamide?
The IUPAC name of N-butan-2-yl-5-hydroxy-N-methylpentanamide (CID 79199606) is N-butan-2-yl-5-hydroxy-N-methylpentanamide.
What is the SMILES notation for N-butan-2-yl-5-hydroxy-N-methylpentanamide?
The canonical SMILES for N-butan-2-yl-5-hydroxy-N-methylpentanamide is CCC(C)N(C)C(=O)CCCCO.
What is the InChIKey of N-butan-2-yl-5-hydroxy-N-methylpentanamide?
The InChIKey is FMYAZUJFZCVDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-9(2)11(3)10(13)7-5-6-8-12/h9,12H,4-8H2,1-3H3.
What are the key properties of N-butan-2-yl-5-hydroxy-N-methylpentanamide?
N-butan-2-yl-5-hydroxy-N-methylpentanamide has a molecular weight of 187.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-hydroxy-N-methylpentanamide is sourced from PubChem (CID 79199606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).