2-methoxy-3,3-dimethylbutanamide

C7H15NO2 — CID 87392254

IUPAC2-methoxy-3,3-dimethylbutanamide
SMILESCOC(C(N)=O)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)5(10-4)6(8)9/h5H,1-4H3,(H2,8,9)
InChIKeyMQGRXDANQPJGMD-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.53
Rot. Bonds2

About 2-methoxy-3,3-dimethylbutanamide

2-methoxy-3,3-dimethylbutanamide (PubChem CID 87392254) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-methoxy-3,3-dimethylbutanamide.

Molecular Properties

Compound Name2-methoxy-3,3-dimethylbutanamide
PubChem CID87392254
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-methoxy-3,3-dimethylbutanamide
SMILESCOC(C(N)=O)C(C)(C)C
InChIInChI=1S/C7H15NO2/c1-7(2,3)5(10-4)6(8)9/h5H,1-4H3,(H2,8,9)
InChIKeyMQGRXDANQPJGMD-UHFFFAOYSA-N
XLogP0.53
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-3,3-dimethylbutanehydrazide
CID 130965061
2-methoxy-N',3,3-trimethylbutanimidamide
CID 116732318
4-methoxy-5,5-dimethylhex-1-en-3-one
CID 116709713
2-methoxy-3,3-dimethyl-N'-propan-2-ylbutanimidamide
CID 116732354
methyl 2-ethyl-4-methoxy-5,5-dimethyl-3-oxohexanoate
CID 116728082
2-(cyclopropylmethoxy)-3,3-dimethylbutanamide
CID 140911434
6-ethyl-3-methoxy-2,2-dimethyloctan-4-one
CID 116709581
5-methoxy-6,6-dimethyl-4-oxoheptanoic acid
CID 116728081
1-cyclobutyl-2-methoxy-3,3-dimethylbutan-1-one
CID 116709506
(2R,3R)-2-hydroxy-3-methoxybutanediamide
CID 131227841
(2R)-2,3,3-trimethylbutanamide
CID 11579125
(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide
CID 143175420

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-dimethylbutanamide?
The IUPAC name of 2-methoxy-3,3-dimethylbutanamide (CID 87392254) is 2-methoxy-3,3-dimethylbutanamide.
What is the SMILES notation for 2-methoxy-3,3-dimethylbutanamide?
The canonical SMILES for 2-methoxy-3,3-dimethylbutanamide is COC(C(N)=O)C(C)(C)C.
What is the InChIKey of 2-methoxy-3,3-dimethylbutanamide?
The InChIKey is MQGRXDANQPJGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-7(2,3)5(10-4)6(8)9/h5H,1-4H3,(H2,8,9).
What are the key properties of 2-methoxy-3,3-dimethylbutanamide?
2-methoxy-3,3-dimethylbutanamide has a molecular weight of 145.20 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-dimethylbutanamide is sourced from PubChem (CID 87392254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).