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

C8H14N2O2 — CID 61059693

IUPAC2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCCCO
InChIInChI=1S/C8H14N2O2/c1-8(2,6-9)7(12)10-4-3-5-11/h11H,3-5H2,1-2H3,(H,10,12)
InChIKeyPULASWOQOOSKLP-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.03
Rot. Bonds4

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

2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide (PubChem CID 61059693) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
PubChem CID61059693
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide
SMILESCC(C)(C#N)C(=O)NCCCO
InChIInChI=1S/C8H14N2O2/c1-8(2,6-9)7(12)10-4-3-5-11/h11H,3-5H2,1-2H3,(H,10,12)
InChIKeyPULASWOQOOSKLP-UHFFFAOYSA-N
XLogP0.03
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide?
The IUPAC name of 2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide (CID 61059693) is 2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide.
What is the SMILES notation for 2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide?
The canonical SMILES for 2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide is CC(C)(C#N)C(=O)NCCCO.
What is the InChIKey of 2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide?
The InChIKey is PULASWOQOOSKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-8(2,6-9)7(12)10-4-3-5-11/h11H,3-5H2,1-2H3,(H,10,12).
What are the key properties of 2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide?
2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide has a molecular weight of 170.21 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(3-hydroxypropyl)-2-methylpropanamide is sourced from PubChem (CID 61059693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).