2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane

C15H30N2O4 — CID 164604737

IUPAC2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane
SMILESCC.CNC(=O)C(NC(C)=O)C(C)OCC1CCOCC1
InChIInChI=1S/C13H24N2O4.C2H6/c1-9(12(13(17)14-3)15-10(2)16)19-8-11-4-6-18-7-5-11;1-2/h9,11-12H,4-8H2,1-3H3,(H,14,17)(H,15,16);1-2H3
InChIKeyDUEKZGRYTRYCMO-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.10
Rot. Bonds6

About 2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane

2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane (PubChem CID 164604737) has the molecular formula C15H30N2O4 and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane.

Molecular Properties

Compound Name2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane
PubChem CID164604737
Molecular FormulaC15H30N2O4
Molecular Weight302.42 g/mol
Exact Mass302.22
IUPAC Name2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane
SMILESCC.CNC(=O)C(NC(C)=O)C(C)OCC1CCOCC1
InChIInChI=1S/C13H24N2O4.C2H6/c1-9(12(13(17)14-3)15-10(2)16)19-8-11-4-6-18-7-5-11;1-2/h9,11-12H,4-8H2,1-3H3,(H,14,17)(H,15,16);1-2H3
InChIKeyDUEKZGRYTRYCMO-UHFFFAOYSA-N
XLogP1.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
CID 174329363
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604744
3-(cyclopentylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594077
3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
2-acetamido-3-(2-cyclohexylethoxy)-N-methylbutanamide
CID 164604698
2-(oxan-4-ylmethoxy)propanoic acid
CID 62384175
3-(oxan-4-ylmethoxy)butan-2-amine
CID 62382238
N-[3-(cyclohexylmethoxy)-1-(2-formylpiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 170758965
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(cyclohexylmethoxy)-1-oxobutan-2-yl]acetamide
CID 170755642
2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine
CID 170755656
N,4-dimethyl-2-(oxan-4-ylmethylamino)pentanamide
CID 55065982

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane?
The IUPAC name of 2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane (CID 164604737) is 2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane.
What is the SMILES notation for 2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane?
The canonical SMILES for 2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane is CC.CNC(=O)C(NC(C)=O)C(C)OCC1CCOCC1.
What is the InChIKey of 2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane?
The InChIKey is DUEKZGRYTRYCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4.C2H6/c1-9(12(13(17)14-3)15-10(2)16)19-8-11-4-6-18-7-5-11;1-2/h9,11-12H,4-8H2,1-3H3,(H,14,17)(H,15,16);1-2H3.
What are the key properties of 2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane?
2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane has a molecular weight of 302.42 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane is sourced from PubChem (CID 164604737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).