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

C17H34N2O6 — CID 38025827

IUPAC(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide
SMILESCOCCNC(=O)[C@H]1O[C@H](CCN(CCOC)CCOC)CC[C@@H]1O
InChIInChI=1S/C17H34N2O6/c1-22-11-7-18-17(21)16-15(20)5-4-14(25-16)6-8-19(9-12-23-2)10-13-24-3/h14-16,20H,4-13H2,1-3H3,(H,18,21)/t14-,15-,16-/m0/s1
InChIKeyFEEOYLNMDSFMHB-JYJNAYRXSA-N
MW362.47 g/mol
LogP-0.36
Rot. Bonds13

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

(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide (PubChem CID 38025827) has the molecular formula C17H34N2O6 and a molecular weight of 362.47 g/mol. Its IUPAC name is (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide
PubChem CID38025827
Molecular FormulaC17H34N2O6
Molecular Weight362.47 g/mol
Exact Mass362.24
IUPAC Name(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide
SMILESCOCCNC(=O)[C@H]1O[C@H](CCN(CCOC)CCOC)CC[C@@H]1O
InChIInChI=1S/C17H34N2O6/c1-22-11-7-18-17(21)16-15(20)5-4-14(25-16)6-8-19(9-12-23-2)10-13-24-3/h14-16,20H,4-13H2,1-3H3,(H,18,21)/t14-,15-,16-/m0/s1
InChIKeyFEEOYLNMDSFMHB-JYJNAYRXSA-N
XLogP-0.36
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide?
The IUPAC name of (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide (CID 38025827) is (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide.
What is the SMILES notation for (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide?
The canonical SMILES for (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide is COCCNC(=O)[C@H]1O[C@H](CCN(CCOC)CCOC)CC[C@@H]1O.
What is the InChIKey of (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide?
The InChIKey is FEEOYLNMDSFMHB-JYJNAYRXSA-N. The full InChI is InChI=1S/C17H34N2O6/c1-22-11-7-18-17(21)16-15(20)5-4-14(25-16)6-8-19(9-12-23-2)10-13-24-3/h14-16,20H,4-13H2,1-3H3,(H,18,21)/t14-,15-,16-/m0/s1.
What are the key properties of (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide?
(2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of -0.36, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,6S)-6-[2-[bis(2-methoxyethyl)amino]ethyl]-3-hydroxy-N-(2-methoxyethyl)oxane-2-carboxamide is sourced from PubChem (CID 38025827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).