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

C20H38N2O5 — CID 38025764

IUPAC(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide
SMILESCOCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CCCCC2)O1
InChIInChI=1S/C20H38N2O5/c1-25-14-12-22(13-15-26-2)11-10-17-8-9-18(23)19(27-17)20(24)21-16-6-4-3-5-7-16/h16-19,23H,3-15H2,1-2H3,(H,21,24)/t17-,18-,19-/m0/s1
InChIKeyGYYFQYFFJIIDGF-FHWLQOOXSA-N
MW386.53 g/mol
LogP1.33
Rot. Bonds11

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

(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide (PubChem CID 38025764) has the molecular formula C20H38N2O5 and a molecular weight of 386.53 g/mol. Its IUPAC name is (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide
PubChem CID38025764
Molecular FormulaC20H38N2O5
Molecular Weight386.53 g/mol
Exact Mass386.28
IUPAC Name(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide
SMILESCOCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CCCCC2)O1
InChIInChI=1S/C20H38N2O5/c1-25-14-12-22(13-15-26-2)11-10-17-8-9-18(23)19(27-17)20(24)21-16-6-4-3-5-7-16/h16-19,23H,3-15H2,1-2H3,(H,21,24)/t17-,18-,19-/m0/s1
InChIKeyGYYFQYFFJIIDGF-FHWLQOOXSA-N
XLogP1.33
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.53
LogP ≤ 51.33
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-cyclohexyl-3-hydroxyoxane-2-carboxamide?
The IUPAC name of (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide (CID 38025764) is (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide.
What is the SMILES notation for (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide?
The canonical SMILES for (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide is COCCN(CCOC)CC[C@@H]1CC[C@H](O)[C@@H](C(=O)NC2CCCCC2)O1.
What is the InChIKey of (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide?
The InChIKey is GYYFQYFFJIIDGF-FHWLQOOXSA-N. The full InChI is InChI=1S/C20H38N2O5/c1-25-14-12-22(13-15-26-2)11-10-17-8-9-18(23)19(27-17)20(24)21-16-6-4-3-5-7-16/h16-19,23H,3-15H2,1-2H3,(H,21,24)/t17-,18-,19-/m0/s1.
What are the key properties of (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide?
(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-N-cyclohexyl-3-hydroxyoxane-2-carboxamide has a molecular weight of 386.53 g/mol, XLogP of 1.33, 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-cyclohexyl-3-hydroxyoxane-2-carboxamide is sourced from PubChem (CID 38025764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).