(4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione

C20H35NO3 — CID 10711999

IUPAC(4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione
SMILESCC1CCCCC(C)C(=O)N(C)/C=C/CC(=O)OC(C(C)(C)C)C1
InChIInChI=1S/C20H35NO3/c1-15-10-7-8-11-16(2)19(23)21(6)13-9-12-18(22)24-17(14-15)20(3,4)5/h9,13,15-17H,7-8,10-12,14H2,1-6H3/b13-9+
InChIKeyWJVLPAKNVBCNQF-UKTHLTGXSA-N
MW337.50 g/mol
LogP4.54
Rot. Bonds

About (4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione

(4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione (PubChem CID 10711999) has the molecular formula C20H35NO3 and a molecular weight of 337.50 g/mol. Its IUPAC name is (4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione.

Molecular Properties

Compound Name(4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione
PubChem CID10711999
Molecular FormulaC20H35NO3
Molecular Weight337.50 g/mol
Exact Mass337.26
IUPAC Name(4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione
SMILESCC1CCCCC(C)C(=O)N(C)/C=C/CC(=O)OC(C(C)(C)C)C1
InChIInChI=1S/C20H35NO3/c1-15-10-7-8-11-16(2)19(23)21(6)13-9-12-18(22)24-17(14-15)20(3,4)5/h9,13,15-17H,7-8,10-12,14H2,1-6H3/b13-9+
InChIKeyWJVLPAKNVBCNQF-UKTHLTGXSA-N
XLogP4.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.50
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione?
The IUPAC name of (4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione (CID 10711999) is (4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione.
What is the SMILES notation for (4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione?
The canonical SMILES for (4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione is CC1CCCCC(C)C(=O)N(C)/C=C/CC(=O)OC(C(C)(C)C)C1.
What is the InChIKey of (4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione?
The InChIKey is WJVLPAKNVBCNQF-UKTHLTGXSA-N. The full InChI is InChI=1S/C20H35NO3/c1-15-10-7-8-11-16(2)19(23)21(6)13-9-12-18(22)24-17(14-15)20(3,4)5/h9,13,15-17H,7-8,10-12,14H2,1-6H3/b13-9+.
What are the key properties of (4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione?
(4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione has a molecular weight of 337.50 g/mol, XLogP of 4.54, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-15-tert-butyl-6,8,13-trimethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione is sourced from PubChem (CID 10711999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).