3-hexoxy-N-(2-methylbutyl)propanamide

C14H29NO2 — CID 11564990

IUPAC3-hexoxy-N-(2-methylbutyl)propanamide
SMILESCCCCCCOCCC(=O)NCC(C)CC
InChIInChI=1S/C14H29NO2/c1-4-6-7-8-10-17-11-9-14(16)15-12-13(3)5-2/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyYBSXZUDCIPHQNN-UHFFFAOYSA-N
MW243.39 g/mol
LogP3.14
Rot. Bonds11

About 3-hexoxy-N-(2-methylbutyl)propanamide

3-hexoxy-N-(2-methylbutyl)propanamide (PubChem CID 11564990) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 3-hexoxy-N-(2-methylbutyl)propanamide.

Molecular Properties

Compound Name3-hexoxy-N-(2-methylbutyl)propanamide
PubChem CID11564990
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name3-hexoxy-N-(2-methylbutyl)propanamide
SMILESCCCCCCOCCC(=O)NCC(C)CC
InChIInChI=1S/C14H29NO2/c1-4-6-7-8-10-17-11-9-14(16)15-12-13(3)5-2/h13H,4-12H2,1-3H3,(H,15,16)
InChIKeyYBSXZUDCIPHQNN-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
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 3-hexoxy-N-(2-methylbutyl)propanamide?
The IUPAC name of 3-hexoxy-N-(2-methylbutyl)propanamide (CID 11564990) is 3-hexoxy-N-(2-methylbutyl)propanamide.
What is the SMILES notation for 3-hexoxy-N-(2-methylbutyl)propanamide?
The canonical SMILES for 3-hexoxy-N-(2-methylbutyl)propanamide is CCCCCCOCCC(=O)NCC(C)CC.
What is the InChIKey of 3-hexoxy-N-(2-methylbutyl)propanamide?
The InChIKey is YBSXZUDCIPHQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-6-7-8-10-17-11-9-14(16)15-12-13(3)5-2/h13H,4-12H2,1-3H3,(H,15,16).
What are the key properties of 3-hexoxy-N-(2-methylbutyl)propanamide?
3-hexoxy-N-(2-methylbutyl)propanamide has a molecular weight of 243.39 g/mol, XLogP of 3.14, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-N-(2-methylbutyl)propanamide is sourced from PubChem (CID 11564990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).