N-(3-hydroxypropyl)butanamide

C7H15NO2 — CID 15683409

IUPACN-(3-hydroxypropyl)butanamide
SMILESCCCC(=O)NCCCO
InChIInChI=1S/C7H15NO2/c1-2-4-7(10)8-5-3-6-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyBXZXQTXKLQAOEF-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.29
Rot. Bonds5

About N-(3-hydroxypropyl)butanamide

N-(3-hydroxypropyl)butanamide (PubChem CID 15683409) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(3-hydroxypropyl)butanamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)butanamide
PubChem CID15683409
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(3-hydroxypropyl)butanamide
SMILESCCCC(=O)NCCCO
InChIInChI=1S/C7H15NO2/c1-2-4-7(10)8-5-3-6-9/h9H,2-6H2,1H3,(H,8,10)
InChIKeyBXZXQTXKLQAOEF-UHFFFAOYSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.29
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)butanamide?
The IUPAC name of N-(3-hydroxypropyl)butanamide (CID 15683409) is N-(3-hydroxypropyl)butanamide.
What is the SMILES notation for N-(3-hydroxypropyl)butanamide?
The canonical SMILES for N-(3-hydroxypropyl)butanamide is CCCC(=O)NCCCO.
What is the InChIKey of N-(3-hydroxypropyl)butanamide?
The InChIKey is BXZXQTXKLQAOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-4-7(10)8-5-3-6-9/h9H,2-6H2,1H3,(H,8,10).
What are the key properties of N-(3-hydroxypropyl)butanamide?
N-(3-hydroxypropyl)butanamide has a molecular weight of 145.20 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)butanamide is sourced from PubChem (CID 15683409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).