(2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

C24H45NO7 — CID 89043078

IUPAC(2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
SMILESC=C1C[C@](OC)([C@H](O)C(=O)NCCC[C@@H](O)C(C)(C)[C@@H](CCCOC)OC)O[C@H](C)[C@@H]1C
InChIInChI=1S/C24H45NO7/c1-16-15-24(31-8,32-18(3)17(16)2)21(27)22(28)25-13-9-11-19(26)23(4,5)20(30-7)12-10-14-29-6/h17-21,26-27H,1,9-15H2,2-8H3,(H,25,28)/t17-,18-,19-,20-,21-,24-/m1/s1
InChIKeyCAOHMUGOXKUIDY-MQJSGXSGSA-N
MW459.62 g/mol
LogP2.42
Rot. Bonds14

About (2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide

(2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (PubChem CID 89043078) has the molecular formula C24H45NO7 and a molecular weight of 459.62 g/mol. Its IUPAC name is (2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
PubChem CID89043078
Molecular FormulaC24H45NO7
Molecular Weight459.62 g/mol
Exact Mass459.32
IUPAC Name(2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
SMILESC=C1C[C@](OC)([C@H](O)C(=O)NCCC[C@@H](O)C(C)(C)[C@@H](CCCOC)OC)O[C@H](C)[C@@H]1C
InChIInChI=1S/C24H45NO7/c1-16-15-24(31-8,32-18(3)17(16)2)21(27)22(28)25-13-9-11-19(26)23(4,5)20(30-7)12-10-14-29-6/h17-21,26-27H,1,9-15H2,2-8H3,(H,25,28)/t17-,18-,19-,20-,21-,24-/m1/s1
InChIKeyCAOHMUGOXKUIDY-MQJSGXSGSA-N
XLogP2.42
TPSA106.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The IUPAC name of (2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide (CID 89043078) is (2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide.
What is the SMILES notation for (2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The canonical SMILES for (2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is C=C1C[C@](OC)([C@H](O)C(=O)NCCC[C@@H](O)C(C)(C)[C@@H](CCCOC)OC)O[C@H](C)[C@@H]1C.
What is the InChIKey of (2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
The InChIKey is CAOHMUGOXKUIDY-MQJSGXSGSA-N. The full InChI is InChI=1S/C24H45NO7/c1-16-15-24(31-8,32-18(3)17(16)2)21(27)22(28)25-13-9-11-19(26)23(4,5)20(30-7)12-10-14-29-6/h17-21,26-27H,1,9-15H2,2-8H3,(H,25,28)/t17-,18-,19-,20-,21-,24-/m1/s1.
What are the key properties of (2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide?
(2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide has a molecular weight of 459.62 g/mol, XLogP of 2.42, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N-[(4R,6R)-4-hydroxy-6,9-dimethoxy-5,5-dimethylnonyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide is sourced from PubChem (CID 89043078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).