2-hexoxy-2-methylbutanamide

C11H23NO2 — CID 175435377

IUPAC2-hexoxy-2-methylbutanamide
SMILESCCCCCCOC(C)(CC)C(N)=O
InChIInChI=1S/C11H23NO2/c1-4-6-7-8-9-14-11(3,5-2)10(12)13/h4-9H2,1-3H3,(H2,12,13)
InChIKeyDHQPBDNAEZDPOA-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.24
Rot. Bonds8

About 2-hexoxy-2-methylbutanamide

2-hexoxy-2-methylbutanamide (PubChem CID 175435377) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-hexoxy-2-methylbutanamide.

Molecular Properties

Compound Name2-hexoxy-2-methylbutanamide
PubChem CID175435377
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-hexoxy-2-methylbutanamide
SMILESCCCCCCOC(C)(CC)C(N)=O
InChIInChI=1S/C11H23NO2/c1-4-6-7-8-9-14-11(3,5-2)10(12)13/h4-9H2,1-3H3,(H2,12,13)
InChIKeyDHQPBDNAEZDPOA-UHFFFAOYSA-N
XLogP2.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.24
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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Related Compounds

2-methyl-2-nonadecoxybutanoic acid
CID 88680932
2-heptoxy-2-methylbutanoic acid
CID 19807820
2-dodecoxy-2-methyltetradecanoic acid
CID 88959462
2-pentoxypropan-2-yl carbamate
CID 174974259
3-hexoxy-3-methylbutan-2-one
CID 164846460
2-hexoxy-2-methylpropanoic acid
CID 114989010
2,2-didecoxypropanoic acid
CID 101272673
2-decoxy-2-ethylbutanoic acid
CID 138578040
tridecyl 2,2-dimethylbutanoate
CID 59651442
4-hydroxy-2-methyl-2-octadecoxypentanoic acid
CID 88607524
octacosyl carbamate
CID 160925840
1-(2-methylbutan-2-yloxy)tetradecane
CID 86191698

Frequently Asked Questions

What is the IUPAC name of 2-hexoxy-2-methylbutanamide?
The IUPAC name of 2-hexoxy-2-methylbutanamide (CID 175435377) is 2-hexoxy-2-methylbutanamide.
What is the SMILES notation for 2-hexoxy-2-methylbutanamide?
The canonical SMILES for 2-hexoxy-2-methylbutanamide is CCCCCCOC(C)(CC)C(N)=O.
What is the InChIKey of 2-hexoxy-2-methylbutanamide?
The InChIKey is DHQPBDNAEZDPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-7-8-9-14-11(3,5-2)10(12)13/h4-9H2,1-3H3,(H2,12,13).
What are the key properties of 2-hexoxy-2-methylbutanamide?
2-hexoxy-2-methylbutanamide has a molecular weight of 201.31 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexoxy-2-methylbutanamide is sourced from PubChem (CID 175435377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).