(3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione

C20H37NO3 — CID 118722917

IUPAC(3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione
SMILESC[C@@H]1CCCC(=O)N(C)CCCC[C@@H](C)C(=O)O[C@@H](C(C)(C)C)C1
InChIInChI=1S/C20H37NO3/c1-15-10-9-12-18(22)21(6)13-8-7-11-16(2)19(23)24-17(14-15)20(3,4)5/h15-17H,7-14H2,1-6H3/t15-,16-,17-/m1/s1
InChIKeyOHFXMZSELAZKMD-BRWVUGGUSA-N
MW339.52 g/mol
LogP4.42
Rot. Bonds

About (3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione

(3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione (PubChem CID 118722917) has the molecular formula C20H37NO3 and a molecular weight of 339.52 g/mol. Its IUPAC name is (3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione.

Molecular Properties

Compound Name(3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione
PubChem CID118722917
Molecular FormulaC20H37NO3
Molecular Weight339.52 g/mol
Exact Mass339.28
IUPAC Name(3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione
SMILESC[C@@H]1CCCC(=O)N(C)CCCC[C@@H](C)C(=O)O[C@@H](C(C)(C)C)C1
InChIInChI=1S/C20H37NO3/c1-15-10-9-12-18(22)21(6)13-8-7-11-16(2)19(23)24-17(14-15)20(3,4)5/h15-17H,7-14H2,1-6H3/t15-,16-,17-/m1/s1
InChIKeyOHFXMZSELAZKMD-BRWVUGGUSA-N
XLogP4.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.52
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione?
The IUPAC name of (3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione (CID 118722917) is (3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione.
What is the SMILES notation for (3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione?
The canonical SMILES for (3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione is C[C@@H]1CCCC(=O)N(C)CCCC[C@@H](C)C(=O)O[C@@H](C(C)(C)C)C1.
What is the InChIKey of (3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione?
The InChIKey is OHFXMZSELAZKMD-BRWVUGGUSA-N. The full InChI is InChI=1S/C20H37NO3/c1-15-10-9-12-18(22)21(6)13-8-7-11-16(2)19(23)24-17(14-15)20(3,4)5/h15-17H,7-14H2,1-6H3/t15-,16-,17-/m1/s1.
What are the key properties of (3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione?
(3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione has a molecular weight of 339.52 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadecane-2,9-dione is sourced from PubChem (CID 118722917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).