3-methyl-4-(3-methylbutoxy)butanamide

C10H21NO2 — CID 134242351

IUPAC3-methyl-4-(3-methylbutoxy)butanamide
SMILESCC(C)CCOCC(C)CC(N)=O
InChIInChI=1S/C10H21NO2/c1-8(2)4-5-13-7-9(3)6-10(11)12/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyXYKFCTISDDUUJN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.56
Rot. Bonds7

About 3-methyl-4-(3-methylbutoxy)butanamide

3-methyl-4-(3-methylbutoxy)butanamide (PubChem CID 134242351) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-methyl-4-(3-methylbutoxy)butanamide.

Molecular Properties

Compound Name3-methyl-4-(3-methylbutoxy)butanamide
PubChem CID134242351
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-methyl-4-(3-methylbutoxy)butanamide
SMILESCC(C)CCOCC(C)CC(N)=O
InChIInChI=1S/C10H21NO2/c1-8(2)4-5-13-7-9(3)6-10(11)12/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyXYKFCTISDDUUJN-UHFFFAOYSA-N
XLogP1.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.56
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-methyl-4-(3-methylbutoxy)butanamide?
The IUPAC name of 3-methyl-4-(3-methylbutoxy)butanamide (CID 134242351) is 3-methyl-4-(3-methylbutoxy)butanamide.
What is the SMILES notation for 3-methyl-4-(3-methylbutoxy)butanamide?
The canonical SMILES for 3-methyl-4-(3-methylbutoxy)butanamide is CC(C)CCOCC(C)CC(N)=O.
What is the InChIKey of 3-methyl-4-(3-methylbutoxy)butanamide?
The InChIKey is XYKFCTISDDUUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)4-5-13-7-9(3)6-10(11)12/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 3-methyl-4-(3-methylbutoxy)butanamide?
3-methyl-4-(3-methylbutoxy)butanamide has a molecular weight of 187.28 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-methylbutoxy)butanamide is sourced from PubChem (CID 134242351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).