4-methoxy-N,2,2-trimethylbutanamide

C8H17NO2 — CID 90785811

IUPAC4-methoxy-N,2,2-trimethylbutanamide
SMILESCNC(=O)C(C)(C)CCOC
InChIInChI=1S/C8H17NO2/c1-8(2,5-6-11-4)7(10)9-3/h5-6H2,1-4H3,(H,9,10)
InChIKeyYTLGKFLNJGFLKP-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.80
Rot. Bonds4

About 4-methoxy-N,2,2-trimethylbutanamide

4-methoxy-N,2,2-trimethylbutanamide (PubChem CID 90785811) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 4-methoxy-N,2,2-trimethylbutanamide.

Molecular Properties

Compound Name4-methoxy-N,2,2-trimethylbutanamide
PubChem CID90785811
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name4-methoxy-N,2,2-trimethylbutanamide
SMILESCNC(=O)C(C)(C)CCOC
InChIInChI=1S/C8H17NO2/c1-8(2,5-6-11-4)7(10)9-3/h5-6H2,1-4H3,(H,9,10)
InChIKeyYTLGKFLNJGFLKP-UHFFFAOYSA-N
XLogP0.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

8-methoxy-2,6,6-trimethyloctane-3,5-dione
CID 88959271
3-(4-methoxybutan-2-ylamino)-N,2,2-trimethylpropanamide
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N,2,2-trimethylhexanamide
CID 87705334
N,2,2-trimethyl-6-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]oxyhexanamide
CID 154967982
6-methoxy-2-methyl-2-(methylcarbamoyl)hexanoic acid
CID 114900096
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CID 158817445
3-(3-methoxypropylcarbamothioylamino)-N,2,2-trimethylpropanamide
CID 103822776
3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide
CID 102672659
N-(2-hydroxy-4-methoxy-2-methylbutyl)-2,2-dimethylbutanamide
CID 103712407
3-(2-methoxypropylamino)-N,2,2-trimethylpropanamide
CID 106276968
5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
CID 134364568
3-amino-N,2,2-trimethylpropanamide;hydrochloride
CID 22364426

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,2,2-trimethylbutanamide?
The IUPAC name of 4-methoxy-N,2,2-trimethylbutanamide (CID 90785811) is 4-methoxy-N,2,2-trimethylbutanamide.
What is the SMILES notation for 4-methoxy-N,2,2-trimethylbutanamide?
The canonical SMILES for 4-methoxy-N,2,2-trimethylbutanamide is CNC(=O)C(C)(C)CCOC.
What is the InChIKey of 4-methoxy-N,2,2-trimethylbutanamide?
The InChIKey is YTLGKFLNJGFLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(2,5-6-11-4)7(10)9-3/h5-6H2,1-4H3,(H,9,10).
What are the key properties of 4-methoxy-N,2,2-trimethylbutanamide?
4-methoxy-N,2,2-trimethylbutanamide has a molecular weight of 159.23 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,2,2-trimethylbutanamide is sourced from PubChem (CID 90785811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).