3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide

C18H36N2O3 — CID 167657660

IUPAC3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide
SMILESCC(C)(C)CC(=O)N1CCOCC1.CN(C)C(=O)CC(C)(C)C
InChIInChI=1S/C10H19NO2.C8H17NO/c1-10(2,3)8-9(12)11-4-6-13-7-5-11;1-8(2,3)6-7(10)9(4)5/h4-8H2,1-3H3;6H2,1-5H3
InChIKeyRMOSYQHQDBNEFK-UHFFFAOYSA-N
MW328.50 g/mol
LogP2.79
Rot. Bonds2

About 3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide

3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide (PubChem CID 167657660) has the molecular formula C18H36N2O3 and a molecular weight of 328.50 g/mol. Its IUPAC name is 3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide.

Molecular Properties

Compound Name3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide
PubChem CID167657660
Molecular FormulaC18H36N2O3
Molecular Weight328.50 g/mol
Exact Mass328.27
IUPAC Name3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide
SMILESCC(C)(C)CC(=O)N1CCOCC1.CN(C)C(=O)CC(C)(C)C
InChIInChI=1S/C10H19NO2.C8H17NO/c1-10(2,3)8-9(12)11-4-6-13-7-5-11;1-8(2,3)6-7(10)9(4)5/h4-8H2,1-3H3;6H2,1-5H3
InChIKeyRMOSYQHQDBNEFK-UHFFFAOYSA-N
XLogP2.79
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide with MolForge

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Related Compounds

3,3-dimethyl-1-piperidin-1-ylbutan-1-one;methane;N,N,3,3-tetramethylbutanamide
CID 167604312
3,3-dimethyl-1-(1,4-oxazepan-4-yl)butan-1-one
CID 58395315
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
3-methyl-3-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838241
1-(azetidin-1-yl)-3,3-dimethylbutan-1-one;1-(4,4-dimethylpent-1-en-2-yl)-3-fluoroazetidine;N,N,3,3-tetramethylbutanamide
CID 159770051
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
2-[4-[[1-(3,3-dimethylbutanoyl)piperidin-4-yl]methyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 140912213
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-1-morpholin-4-ylethanone
CID 62007959
1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
CID 166255184
1-(4-aminopiperazin-1-yl)-3,3-dimethylbutan-1-one
CID 144808257
2-amino-N,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide;hydrochloride
CID 119290901
1-(4-acetyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 110738741

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide?
The IUPAC name of 3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide (CID 167657660) is 3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide.
What is the SMILES notation for 3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide?
The canonical SMILES for 3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide is CC(C)(C)CC(=O)N1CCOCC1.CN(C)C(=O)CC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide?
The InChIKey is RMOSYQHQDBNEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.C8H17NO/c1-10(2,3)8-9(12)11-4-6-13-7-5-11;1-8(2,3)6-7(10)9(4)5/h4-8H2,1-3H3;6H2,1-5H3.
What are the key properties of 3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide?
3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide has a molecular weight of 328.50 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-morpholin-4-ylbutan-1-one;N,N,3,3-tetramethylbutanamide is sourced from PubChem (CID 167657660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).