2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide

C12H23NO2 — CID 141190006

IUPAC2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide
SMILESC[C@H]1COCC[C@@H]1CNC(=O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9-8-15-6-5-10(9)7-13-11(14)12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyFTRBLOSXSCGYKN-VHSXEESVSA-N
MW213.32 g/mol
LogP1.82
Rot. Bonds2

About 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide

2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide (PubChem CID 141190006) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide
PubChem CID141190006
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide
SMILESC[C@H]1COCC[C@@H]1CNC(=O)C(C)(C)C
InChIInChI=1S/C12H23NO2/c1-9-8-15-6-5-10(9)7-13-11(14)12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyFTRBLOSXSCGYKN-VHSXEESVSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide (CID 141190006) is 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide is C[C@H]1COCC[C@@H]1CNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide?
The InChIKey is FTRBLOSXSCGYKN-VHSXEESVSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9-8-15-6-5-10(9)7-13-11(14)12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide?
2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide has a molecular weight of 213.32 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[[(3R,4S)-3-methyloxan-4-yl]methyl]propanamide is sourced from PubChem (CID 141190006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).