N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide

C19H34N2O8 — CID 59364470

IUPACN,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide
SMILESCO[C@H]1C[C@H](C)O[C@@H](C)[C@H]1ONC(=O)CC(=O)NO[C@@H]1[C@H](C)O[C@@H](C)C[C@@H]1OC
InChIInChI=1S/C19H34N2O8/c1-10-7-14(24-5)18(12(3)26-10)28-20-16(22)9-17(23)21-29-19-13(4)27-11(2)8-15(19)25-6/h10-15,18-19H,7-9H2,1-6H3,(H,20,22)(H,21,23)/t10-,11-,12-,13-,14-,15-,18+,19+/m0/s1
InChIKeyCXXPOZDDHLYIOC-RJMZWSJLSA-N
MW418.49 g/mol
LogP0.63
Rot. Bonds8

About N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide

N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide (PubChem CID 59364470) has the molecular formula C19H34N2O8 and a molecular weight of 418.49 g/mol. Its IUPAC name is N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide.

Molecular Properties

Compound NameN,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide
PubChem CID59364470
Molecular FormulaC19H34N2O8
Molecular Weight418.49 g/mol
Exact Mass418.23
IUPAC NameN,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide
SMILESCO[C@H]1C[C@H](C)O[C@@H](C)[C@H]1ONC(=O)CC(=O)NO[C@@H]1[C@H](C)O[C@@H](C)C[C@@H]1OC
InChIInChI=1S/C19H34N2O8/c1-10-7-14(24-5)18(12(3)26-10)28-20-16(22)9-17(23)21-29-19-13(4)27-11(2)8-15(19)25-6/h10-15,18-19H,7-9H2,1-6H3,(H,20,22)(H,21,23)/t10-,11-,12-,13-,14-,15-,18+,19+/m0/s1
InChIKeyCXXPOZDDHLYIOC-RJMZWSJLSA-N
XLogP0.63
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide?
The IUPAC name of N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide (CID 59364470) is N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide.
What is the SMILES notation for N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide?
The canonical SMILES for N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide is CO[C@H]1C[C@H](C)O[C@@H](C)[C@H]1ONC(=O)CC(=O)NO[C@@H]1[C@H](C)O[C@@H](C)C[C@@H]1OC.
What is the InChIKey of N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide?
The InChIKey is CXXPOZDDHLYIOC-RJMZWSJLSA-N. The full InChI is InChI=1S/C19H34N2O8/c1-10-7-14(24-5)18(12(3)26-10)28-20-16(22)9-17(23)21-29-19-13(4)27-11(2)8-15(19)25-6/h10-15,18-19H,7-9H2,1-6H3,(H,20,22)(H,21,23)/t10-,11-,12-,13-,14-,15-,18+,19+/m0/s1.
What are the key properties of N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide?
N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide has a molecular weight of 418.49 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[[(2S,3R,4S,6S)-4-methoxy-2,6-dimethyloxan-3-yl]oxy]propanediamide is sourced from PubChem (CID 59364470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).