3-methoxy-3-methyl-N-propan-2-ylbutanamide

C9H19NO2 — CID 103020990

IUPAC3-methoxy-3-methyl-N-propan-2-ylbutanamide
SMILESCOC(C)(C)CC(=O)NC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)10-8(11)6-9(3,4)12-5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyXXFBLAHUSOOZQN-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds4

About 3-methoxy-3-methyl-N-propan-2-ylbutanamide

3-methoxy-3-methyl-N-propan-2-ylbutanamide (PubChem CID 103020990) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-propan-2-ylbutanamide
PubChem CID103020990
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-methoxy-3-methyl-N-propan-2-ylbutanamide
SMILESCOC(C)(C)CC(=O)NC(C)C
InChIInChI=1S/C9H19NO2/c1-7(2)10-8(11)6-9(3,4)12-5/h7H,6H2,1-5H3,(H,10,11)
InChIKeyXXFBLAHUSOOZQN-UHFFFAOYSA-N
XLogP1.33
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 ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyanoethyl)-3-methoxy-3-methylbutanamide
CID 103020102
(2S)-2-[(3-methoxy-3-methylbutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103018443
N-[(2S)-1-hydroxybutan-2-yl]-3-methoxy-3-methylbutanamide
CID 103021223
methyl 3-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]propanoate
CID 103021727
N-(1-amino-1-hydroxyiminopropan-2-yl)-3-methoxy-3-methylbutanamide
CID 103022042
N,3-dimethoxy-3-methylbutanamide
CID 103021007
(2R)-4-hydroxy-2-[(3-methoxy-3-methylbutanoyl)amino]butanoic acid
CID 107823761
3,3-dimethyl-N-propan-2-ylpentanamide
CID 89006014
N-(1-amino-2,3-dimethylbutan-2-yl)-3-methoxy-3-methylbutanamide
CID 103021631
3-cyclopropyl-3-[(3-methoxy-3-methylbutanoyl)amino]propanoic acid
CID 103019197
3,3-dimethyl-5-oxo-5-(propan-2-ylamino)pentanoic acid
CID 58727729
2-chloro-4-methoxy-4-methyl-N-propan-2-ylpentanamide
CID 106676366

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 3-methoxy-3-methyl-N-propan-2-ylbutanamide (CID 103020990) is 3-methoxy-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 3-methoxy-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 3-methoxy-3-methyl-N-propan-2-ylbutanamide is COC(C)(C)CC(=O)NC(C)C.
What is the InChIKey of 3-methoxy-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is XXFBLAHUSOOZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)10-8(11)6-9(3,4)12-5/h7H,6H2,1-5H3,(H,10,11).
What are the key properties of 3-methoxy-3-methyl-N-propan-2-ylbutanamide?
3-methoxy-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 173.26 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 103020990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).