4-(2,4,4-trimethylpentan-2-yloxy)butanamide

C12H25NO2 — CID 138571120

IUPAC4-(2,4,4-trimethylpentan-2-yloxy)butanamide
SMILESCC(C)(C)CC(C)(C)OCCCC(N)=O
InChIInChI=1S/C12H25NO2/c1-11(2,3)9-12(4,5)15-8-6-7-10(13)14/h6-9H2,1-5H3,(H2,13,14)
InChIKeyDIKHMQHLSYQDKO-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.48
Rot. Bonds6

About 4-(2,4,4-trimethylpentan-2-yloxy)butanamide

4-(2,4,4-trimethylpentan-2-yloxy)butanamide (PubChem CID 138571120) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 4-(2,4,4-trimethylpentan-2-yloxy)butanamide.

Molecular Properties

Compound Name4-(2,4,4-trimethylpentan-2-yloxy)butanamide
PubChem CID138571120
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name4-(2,4,4-trimethylpentan-2-yloxy)butanamide
SMILESCC(C)(C)CC(C)(C)OCCCC(N)=O
InChIInChI=1S/C12H25NO2/c1-11(2,3)9-12(4,5)15-8-6-7-10(13)14/h6-9H2,1-5H3,(H2,13,14)
InChIKeyDIKHMQHLSYQDKO-UHFFFAOYSA-N
XLogP2.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.48
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

propanamide;2,2,4-trimethyl-4-(3-methylbutoxy)pentane
CID 167513215
4-(2-hydroxyethoxy)-4-methylpentanamide
CID 167307614
4-methoxybutanamide
CID 22414177
4-methoxybutanamide;hydrochloride
CID 141117964
4-(3,3-dimethylpentoxy)-4-methylpentanamide;ethane
CID 156884875
5-ethyl-5-methyl-1-(2-methylbutan-2-yloxy)heptan-4-one
CID 88875177
hexanediamide;methoxymethane
CID 87287786
3-butoxy-N,3-dimethylbutanamide
CID 171565202
2,4,4-trimethylpentan-2-yloxy 5-(2,4,4-trimethylpentan-2-ylperoxycarbonyloxy)pentyl carbonate
CID 139639655
4-silyloxybutanamide
CID 172753753
4,4-dimethylpentanamide;hydrochloride
CID 141202343
2-methyl-1-[2-(2,4,4-trimethylpentan-2-yloxy)ethoxy]propan-2-amine
CID 139380192

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,4-trimethylpentan-2-yloxy)butanamide?
The IUPAC name of 4-(2,4,4-trimethylpentan-2-yloxy)butanamide (CID 138571120) is 4-(2,4,4-trimethylpentan-2-yloxy)butanamide.
What is the SMILES notation for 4-(2,4,4-trimethylpentan-2-yloxy)butanamide?
The canonical SMILES for 4-(2,4,4-trimethylpentan-2-yloxy)butanamide is CC(C)(C)CC(C)(C)OCCCC(N)=O.
What is the InChIKey of 4-(2,4,4-trimethylpentan-2-yloxy)butanamide?
The InChIKey is DIKHMQHLSYQDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-11(2,3)9-12(4,5)15-8-6-7-10(13)14/h6-9H2,1-5H3,(H2,13,14).
What are the key properties of 4-(2,4,4-trimethylpentan-2-yloxy)butanamide?
4-(2,4,4-trimethylpentan-2-yloxy)butanamide has a molecular weight of 215.34 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,4-trimethylpentan-2-yloxy)butanamide is sourced from PubChem (CID 138571120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).