2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide

C10H19NO2 — CID 89306487

IUPAC2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
SMILESCC(C)C(=O)NC[C@@H]1CCCCO1
InChIInChI=1S/C10H19NO2/c1-8(2)10(12)11-7-9-5-3-4-6-13-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyDCFWGNPWWNLIFN-VIFPVBQESA-N
MW185.27 g/mol
LogP1.33
Rot. Bonds3

About 2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide

2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide (PubChem CID 89306487) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
PubChem CID89306487
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide
SMILESCC(C)C(=O)NC[C@@H]1CCCCO1
InChIInChI=1S/C10H19NO2/c1-8(2)10(12)11-7-9-5-3-4-6-13-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t9-/m0/s1
InChIKeyDCFWGNPWWNLIFN-VIFPVBQESA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide (CID 89306487) is 2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide is CC(C)C(=O)NC[C@@H]1CCCCO1.
What is the InChIKey of 2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide?
The InChIKey is DCFWGNPWWNLIFN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)10(12)11-7-9-5-3-4-6-13-9/h8-9H,3-7H2,1-2H3,(H,11,12)/t9-/m0/s1.
What are the key properties of 2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide?
2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide has a molecular weight of 185.27 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[(2S)-oxan-2-yl]methyl]propanamide is sourced from PubChem (CID 89306487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).