(4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide

C21H43NO5 — CID 11463425

IUPAC(4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide
SMILESCCCCCCCCCCCC[C@@H](OCOC)[C@H](O)CCC(=O)N(C)OC
InChIInChI=1S/C21H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-20(27-18-25-3)19(23)16-17-21(24)22(2)26-4/h19-20,23H,5-18H2,1-4H3/t19-,20-/m1/s1
InChIKeyIENGOTTYAXDOJP-WOJBJXKFSA-N
MW389.58 g/mol
LogP4.45
Rot. Bonds19

About (4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide

(4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide (PubChem CID 11463425) has the molecular formula C21H43NO5 and a molecular weight of 389.58 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide
PubChem CID11463425
Molecular FormulaC21H43NO5
Molecular Weight389.58 g/mol
Exact Mass389.31
IUPAC Name(4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide
SMILESCCCCCCCCCCCC[C@@H](OCOC)[C@H](O)CCC(=O)N(C)OC
InChIInChI=1S/C21H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-20(27-18-25-3)19(23)16-17-21(24)22(2)26-4/h19-20,23H,5-18H2,1-4H3/t19-,20-/m1/s1
InChIKeyIENGOTTYAXDOJP-WOJBJXKFSA-N
XLogP4.45
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4R)-4-hydroxy-N-methoxy-4-[(2R,5R)-5-[(1S)-1-(methoxymethoxy)pentadecyl]oxolan-2-yl]-N-methylbutanamide
CID 11684536
(2R,3R)-3-(methoxymethoxy)octadecan-2-ol
CID 102259146
dodecyl 2-[6-[methoxy(methyl)amino]-6-oxohexyl]dodecanoate
CID 175544522
ethyl (2R,3S,4R)-2-(hexadecanoylamino)-3-hydroxy-4-(methoxymethoxy)octadecanoate
CID 10556130
ethyl (2R,3S,4S)-2-(hexadecanoylamino)-3-hydroxy-4-(methoxymethoxy)octadecanoate
CID 10580001
N-methoxy-N-methyl-4-oxononanamide
CID 121217701
(Z)-N-methoxy-N-methyloctadec-9-enamide
CID 10903483
10-decoxy-9-hydroxyoctadecanoic acid
CID 150670526
4-ethoxydodecan-5-ol
CID 116711346
(3S)-3-(methoxymethoxy)decan-2-one
CID 101223791
2-(methoxymethoxy)nonane
CID 13203850
ethyl (4S)-4-(methoxymethoxy)octadecanoate
CID 71567301

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide?
The IUPAC name of (4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide (CID 11463425) is (4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide.
What is the SMILES notation for (4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide?
The canonical SMILES for (4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide is CCCCCCCCCCCC[C@@H](OCOC)[C@H](O)CCC(=O)N(C)OC.
What is the InChIKey of (4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide?
The InChIKey is IENGOTTYAXDOJP-WOJBJXKFSA-N. The full InChI is InChI=1S/C21H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-20(27-18-25-3)19(23)16-17-21(24)22(2)26-4/h19-20,23H,5-18H2,1-4H3/t19-,20-/m1/s1.
What are the key properties of (4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide?
(4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide has a molecular weight of 389.58 g/mol, XLogP of 4.45, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-N-methoxy-5-(methoxymethoxy)-N-methylheptadecanamide is sourced from PubChem (CID 11463425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).