N-(2-methoxyethyl)-3,3-dimethylbutanamide

C9H19NO2 — CID 4628761

IUPACN-(2-methoxyethyl)-3,3-dimethylbutanamide
SMILESCOCCNC(=O)CC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-9(2,3)7-8(11)10-5-6-12-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyYCGIEBWVFSECTC-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.19
Rot. Bonds4

About N-(2-methoxyethyl)-3,3-dimethylbutanamide

N-(2-methoxyethyl)-3,3-dimethylbutanamide (PubChem CID 4628761) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3,3-dimethylbutanamide
PubChem CID4628761
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-(2-methoxyethyl)-3,3-dimethylbutanamide
SMILESCOCCNC(=O)CC(C)(C)C
InChIInChI=1S/C9H19NO2/c1-9(2,3)7-8(11)10-5-6-12-4/h5-7H2,1-4H3,(H,10,11)
InChIKeyYCGIEBWVFSECTC-UHFFFAOYSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.19
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 N-(2-methoxyethyl)-3,3-dimethylbutanamide?
The IUPAC name of N-(2-methoxyethyl)-3,3-dimethylbutanamide (CID 4628761) is N-(2-methoxyethyl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(2-methoxyethyl)-3,3-dimethylbutanamide is COCCNC(=O)CC(C)(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3,3-dimethylbutanamide?
The InChIKey is YCGIEBWVFSECTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2,3)7-8(11)10-5-6-12-4/h5-7H2,1-4H3,(H,10,11).
What are the key properties of N-(2-methoxyethyl)-3,3-dimethylbutanamide?
N-(2-methoxyethyl)-3,3-dimethylbutanamide has a molecular weight of 173.26 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3,3-dimethylbutanamide is sourced from PubChem (CID 4628761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).