(3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one

C18H35NO5 — CID 71206836

IUPAC(3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one
SMILESCO[C@H]1CCCCC(=O)OC[C@@](C)(O)[C@H](OC)[C@@H](C)N(C)CCC1
InChIInChI=1S/C18H35NO5/c1-14-17(23-5)18(2,21)13-24-16(20)11-7-6-9-15(22-4)10-8-12-19(14)3/h14-15,17,21H,6-13H2,1-5H3/t14-,15+,17-,18-/m1/s1
InChIKeyMAKYZRLZDYNTDB-CYGHRXIMSA-N
MW345.48 g/mol
LogP1.99
Rot. Bonds2

About (3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one

(3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one (PubChem CID 71206836) has the molecular formula C18H35NO5 and a molecular weight of 345.48 g/mol. Its IUPAC name is (3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one.

Molecular Properties

Compound Name(3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one
PubChem CID71206836
Molecular FormulaC18H35NO5
Molecular Weight345.48 g/mol
Exact Mass345.25
IUPAC Name(3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one
SMILESCO[C@H]1CCCCC(=O)OC[C@@](C)(O)[C@H](OC)[C@@H](C)N(C)CCC1
InChIInChI=1S/C18H35NO5/c1-14-17(23-5)18(2,21)13-24-16(20)11-7-6-9-15(22-4)10-8-12-19(14)3/h14-15,17,21H,6-13H2,1-5H3/t14-,15+,17-,18-/m1/s1
InChIKeyMAKYZRLZDYNTDB-CYGHRXIMSA-N
XLogP1.99
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one?
The IUPAC name of (3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one (CID 71206836) is (3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one.
What is the SMILES notation for (3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one?
The canonical SMILES for (3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one is CO[C@H]1CCCCC(=O)OC[C@@](C)(O)[C@H](OC)[C@@H](C)N(C)CCC1.
What is the InChIKey of (3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one?
The InChIKey is MAKYZRLZDYNTDB-CYGHRXIMSA-N. The full InChI is InChI=1S/C18H35NO5/c1-14-17(23-5)18(2,21)13-24-16(20)11-7-6-9-15(22-4)10-8-12-19(14)3/h14-15,17,21H,6-13H2,1-5H3/t14-,15+,17-,18-/m1/s1.
What are the key properties of (3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one?
(3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one has a molecular weight of 345.48 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5R,10S)-3-hydroxy-4,10-dimethoxy-3,5,6-trimethyl-1-oxa-6-azacyclopentadecan-15-one is sourced from PubChem (CID 71206836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).