N-(1-hydroxy-3-methylbutyl)acetamide

C7H15NO2 — CID 162400179

IUPACN-(1-hydroxy-3-methylbutyl)acetamide
SMILESCC(=O)NC(O)CC(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)4-7(10)8-6(3)9/h5,7,10H,4H2,1-3H3,(H,8,9)
InChIKeyMNNPTUNMDJOGFR-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.49
Rot. Bonds3

About N-(1-hydroxy-3-methylbutyl)acetamide

N-(1-hydroxy-3-methylbutyl)acetamide (PubChem CID 162400179) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutyl)acetamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutyl)acetamide
PubChem CID162400179
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(1-hydroxy-3-methylbutyl)acetamide
SMILESCC(=O)NC(O)CC(C)C
InChIInChI=1S/C7H15NO2/c1-5(2)4-7(10)8-6(3)9/h5,7,10H,4H2,1-3H3,(H,8,9)
InChIKeyMNNPTUNMDJOGFR-UHFFFAOYSA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutyl)acetamide?
The IUPAC name of N-(1-hydroxy-3-methylbutyl)acetamide (CID 162400179) is N-(1-hydroxy-3-methylbutyl)acetamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutyl)acetamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutyl)acetamide is CC(=O)NC(O)CC(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutyl)acetamide?
The InChIKey is MNNPTUNMDJOGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5(2)4-7(10)8-6(3)9/h5,7,10H,4H2,1-3H3,(H,8,9).
What are the key properties of N-(1-hydroxy-3-methylbutyl)acetamide?
N-(1-hydroxy-3-methylbutyl)acetamide has a molecular weight of 145.20 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutyl)acetamide is sourced from PubChem (CID 162400179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).