N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide

C12H24N2O3 — CID 91798255

IUPACN,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide
SMILESCC(C)N[C@@H]1CCOC[C@H]1OCC(=O)N(C)C
InChIInChI=1S/C12H24N2O3/c1-9(2)13-10-5-6-16-7-11(10)17-8-12(15)14(3)4/h9-11,13H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyLASNFZGIMFMPFO-GHMZBOCLSA-N
MW244.33 g/mol
LogP0.25
Rot. Bonds5

About N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide

N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide (PubChem CID 91798255) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide
PubChem CID91798255
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide
SMILESCC(C)N[C@@H]1CCOC[C@H]1OCC(=O)N(C)C
InChIInChI=1S/C12H24N2O3/c1-9(2)13-10-5-6-16-7-11(10)17-8-12(15)14(3)4/h9-11,13H,5-8H2,1-4H3/t10-,11-/m1/s1
InChIKeyLASNFZGIMFMPFO-GHMZBOCLSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide?
The IUPAC name of N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide (CID 91798255) is N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide.
What is the SMILES notation for N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide?
The canonical SMILES for N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide is CC(C)N[C@@H]1CCOC[C@H]1OCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide?
The InChIKey is LASNFZGIMFMPFO-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-9(2)13-10-5-6-16-7-11(10)17-8-12(15)14(3)4/h9-11,13H,5-8H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide?
N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide has a molecular weight of 244.33 g/mol, XLogP of 0.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3S,4R)-4-(propan-2-ylamino)oxan-3-yl]oxyacetamide is sourced from PubChem (CID 91798255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).