(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide

C17H32N2O5 — CID 38025578

IUPAC(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide
SMILESCOCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CC2)O1
InChIInChI=1S/C17H32N2O5/c1-22-11-9-19(10-12-23-2)8-7-14-5-6-15(20)16(24-14)17(21)18-13-3-4-13/h13-16,20H,3-12H2,1-2H3,(H,18,21)/t14-,15-,16-/m0/s1
InChIKeyCBWBMYDVGSDMRO-JYJNAYRXSA-N
MW344.45 g/mol
LogP0.16
Rot. Bonds11

About (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide

(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide (PubChem CID 38025578) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide
PubChem CID38025578
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Name(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide
SMILESCOCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CC2)O1
InChIInChI=1S/C17H32N2O5/c1-22-11-9-19(10-12-23-2)8-7-14-5-6-15(20)16(24-14)17(21)18-13-3-4-13/h13-16,20H,3-12H2,1-2H3,(H,18,21)/t14-,15-,16-/m0/s1
InChIKeyCBWBMYDVGSDMRO-JYJNAYRXSA-N
XLogP0.16
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide?
The IUPAC name of (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide (CID 38025578) is (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide.
What is the SMILES notation for (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide?
The canonical SMILES for (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide is COCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CC2)O1.
What is the InChIKey of (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide?
The InChIKey is CBWBMYDVGSDMRO-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-22-11-9-19(10-12-23-2)8-7-14-5-6-15(20)16(24-14)17(21)18-13-3-4-13/h13-16,20H,3-12H2,1-2H3,(H,18,21)/t14-,15-,16-/m0/s1.
What are the key properties of (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide?
(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide has a molecular weight of 344.45 g/mol, XLogP of 0.16, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclopropyl-3-hydroxyoxane-2-carboxamide is sourced from PubChem (CID 38025578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).