(4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione

C21H37NO3 — CID 155802203

IUPAC(4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione
SMILESCC1CCC(C)CC(C(C)(C)C)OC(=O)C/C=C\N(C)C(=O)C(C)C1
InChIInChI=1S/C21H37NO3/c1-15-10-11-16(2)14-18(21(4,5)6)25-19(23)9-8-12-22(7)20(24)17(3)13-15/h8,12,15-18H,9-11,13-14H2,1-7H3/b12-8-
InChIKeyMUPORQMYFNQMDE-WQLSENKSSA-N
MW351.53 g/mol
LogP4.79
Rot. Bonds

About (4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione

(4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione (PubChem CID 155802203) has the molecular formula C21H37NO3 and a molecular weight of 351.53 g/mol. Its IUPAC name is (4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione.

Molecular Properties

Compound Name(4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione
PubChem CID155802203
Molecular FormulaC21H37NO3
Molecular Weight351.53 g/mol
Exact Mass351.28
IUPAC Name(4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione
SMILESCC1CCC(C)CC(C(C)(C)C)OC(=O)C/C=C\N(C)C(=O)C(C)C1
InChIInChI=1S/C21H37NO3/c1-15-10-11-16(2)14-18(21(4,5)6)25-19(23)9-8-12-22(7)20(24)17(3)13-15/h8,12,15-18H,9-11,13-14H2,1-7H3/b12-8-
InChIKeyMUPORQMYFNQMDE-WQLSENKSSA-N
XLogP4.79
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione with MolForge

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Related Compounds

(10Z,12Z)-2-tert-butyl-4,7,9,16-tetramethyl-1-oxa-9-azacycloheptadeca-10,12-diene-8,17-dione
CID 10547620
(3S,6E,13R,15R)-15-tert-butyl-3,8,13-trimethyl-1-oxa-8-azacyclopentadec-6-ene-2,9-dione
CID 118722919
(4R,7S)-7-tert-butyl-4-methyloxepan-2-one
CID 15262966
(3R,4S,6S)-6-tert-butyl-4-hydroxy-3-methyloxan-2-one
CID 14780946
1-methyl-3H-pyrrol-2-one
CID 5325710
6-tert-butyloxan-2-one;ethane
CID 144908512
5-tert-butyl-3-hydroxyoxolan-2-one
CID 130128807
13-methyl-1-oxacyclohexadeca-4,9-dien-2-one
CID 70375947
(3aR,5S,7aS)-2-(furan-2-ylmethyl)-5-methyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 2179104
(4aR,6R,8aS)-6-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 102238338
(5R)-2,5-dimethyl-3a,4,5,6,7,7a-hexahydro-3H-isoindol-1-one
CID 139498091
(4aR,7S,8aR)-7-methyl-3,4,4a,5,6,7,8,8a-octahydrochromen-2-one
CID 54771683

Frequently Asked Questions

What is the IUPAC name of (4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione?
The IUPAC name of (4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione (CID 155802203) is (4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione.
What is the SMILES notation for (4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione?
The canonical SMILES for (4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione is CC1CCC(C)CC(C(C)(C)C)OC(=O)C/C=C\N(C)C(=O)C(C)C1.
What is the InChIKey of (4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione?
The InChIKey is MUPORQMYFNQMDE-WQLSENKSSA-N. The full InChI is InChI=1S/C21H37NO3/c1-15-10-11-16(2)14-18(21(4,5)6)25-19(23)9-8-12-22(7)20(24)17(3)13-15/h8,12,15-18H,9-11,13-14H2,1-7H3/b12-8-.
What are the key properties of (4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione?
(4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione has a molecular weight of 351.53 g/mol, XLogP of 4.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-15-tert-butyl-6,8,10,13-tetramethyl-1-oxa-6-azacyclopentadec-4-ene-2,7-dione is sourced from PubChem (CID 155802203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).