3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide

C12H24N2O2 — CID 49094753

IUPAC3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
SMILESCN1CCOC(CNC(=O)CC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)7-11(15)13-8-10-9-14(4)5-6-16-10/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyQKNOALNSFJEBQB-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds3

About 3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide

3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide (PubChem CID 49094753) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
PubChem CID49094753
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
SMILESCN1CCOC(CNC(=O)CC(C)(C)C)C1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)7-11(15)13-8-10-9-14(4)5-6-16-10/h10H,5-9H2,1-4H3,(H,13,15)
InChIKeyQKNOALNSFJEBQB-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
1-tert-butyl-3-[(4-methylmorpholin-2-yl)methyl]urea
CID 110747047
2-(azetidin-3-yl)-N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 79083364
2-amino-N-[2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 79082878
2-amino-2-methyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 79811490
4,4-dichloro-N-[(4-methylmorpholin-2-yl)methyl]but-3-enamide
CID 167947409
2-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]propanamide
CID 153398973
methyl 2-[(4-methylmorpholin-2-yl)methylamino]-2-oxoacetate
CID 112617409
3-(cyclopropylamino)-N-[(4-methylmorpholin-2-yl)methyl]propanamide
CID 79082583
N-[(4-methylmorpholin-2-yl)methyl]-2-phenylacetamide
CID 110710224
2-hydroxy-2-methyl-3-[(4-methylmorpholin-2-yl)methylcarbamoylamino]propanoic acid
CID 79070869

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide (CID 49094753) is 3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide is CN1CCOC(CNC(=O)CC(C)(C)C)C1.
What is the InChIKey of 3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
The InChIKey is QKNOALNSFJEBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)7-11(15)13-8-10-9-14(4)5-6-16-10/h10H,5-9H2,1-4H3,(H,13,15).
What are the key properties of 3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide?
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide is sourced from PubChem (CID 49094753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).