N-(3-hydroxypropyl)-2-methylpropanamide

C7H15NO2 — CID 23112267

IUPACN-(3-hydroxypropyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCCO
InChIInChI=1S/C7H15NO2/c1-6(2)7(10)8-4-3-5-9/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyPNEVTUYIUVOVMO-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.14
Rot. Bonds4

About N-(3-hydroxypropyl)-2-methylpropanamide

N-(3-hydroxypropyl)-2-methylpropanamide (PubChem CID 23112267) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-methylpropanamide
PubChem CID23112267
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(3-hydroxypropyl)-2-methylpropanamide
SMILESCC(C)C(=O)NCCCO
InChIInChI=1S/C7H15NO2/c1-6(2)7(10)8-4-3-5-9/h6,9H,3-5H2,1-2H3,(H,8,10)
InChIKeyPNEVTUYIUVOVMO-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.14
H-Bond Donors ≤ 52
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-(3-hydroxypropyl)-2-methylpropanamide?
The IUPAC name of N-(3-hydroxypropyl)-2-methylpropanamide (CID 23112267) is N-(3-hydroxypropyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-methylpropanamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-methylpropanamide is CC(C)C(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)-2-methylpropanamide?
The InChIKey is PNEVTUYIUVOVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-6(2)7(10)8-4-3-5-9/h6,9H,3-5H2,1-2H3,(H,8,10).
What are the key properties of N-(3-hydroxypropyl)-2-methylpropanamide?
N-(3-hydroxypropyl)-2-methylpropanamide has a molecular weight of 145.20 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-methylpropanamide is sourced from PubChem (CID 23112267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).