2-hydroxy-2-methyl-N-pentylpropanamide;methane

C10H23NO2 — CID 157484335

IUPAC2-hydroxy-2-methyl-N-pentylpropanamide;methane
SMILESC.CCCCCNC(=O)C(C)(C)O
InChIInChI=1S/C9H19NO2.CH4/c1-4-5-6-7-10-8(11)9(2,3)12;/h12H,4-7H2,1-3H3,(H,10,11);1H4
InChIKeyBWNKPMQFCMSNGO-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.70
Rot. Bonds5

About 2-hydroxy-2-methyl-N-pentylpropanamide;methane

2-hydroxy-2-methyl-N-pentylpropanamide;methane (PubChem CID 157484335) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-pentylpropanamide;methane.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-pentylpropanamide;methane
PubChem CID157484335
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-hydroxy-2-methyl-N-pentylpropanamide;methane
SMILESC.CCCCCNC(=O)C(C)(C)O
InChIInChI=1S/C9H19NO2.CH4/c1-4-5-6-7-10-8(11)9(2,3)12;/h12H,4-7H2,1-3H3,(H,10,11);1H4
InChIKeyBWNKPMQFCMSNGO-UHFFFAOYSA-N
XLogP1.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.70
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 2-hydroxy-2-methyl-N-pentylpropanamide;methane?
The IUPAC name of 2-hydroxy-2-methyl-N-pentylpropanamide;methane (CID 157484335) is 2-hydroxy-2-methyl-N-pentylpropanamide;methane.
What is the SMILES notation for 2-hydroxy-2-methyl-N-pentylpropanamide;methane?
The canonical SMILES for 2-hydroxy-2-methyl-N-pentylpropanamide;methane is C.CCCCCNC(=O)C(C)(C)O.
What is the InChIKey of 2-hydroxy-2-methyl-N-pentylpropanamide;methane?
The InChIKey is BWNKPMQFCMSNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.CH4/c1-4-5-6-7-10-8(11)9(2,3)12;/h12H,4-7H2,1-3H3,(H,10,11);1H4.
What are the key properties of 2-hydroxy-2-methyl-N-pentylpropanamide;methane?
2-hydroxy-2-methyl-N-pentylpropanamide;methane has a molecular weight of 189.30 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-pentylpropanamide;methane is sourced from PubChem (CID 157484335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).