(3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione

C19H33NO3 — CID 134959448

IUPAC(3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione
SMILESC=CC1CCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O1
InChIInChI=1S/C19H33NO3/c1-3-17-14-12-10-8-6-4-5-7-9-11-13-15-18(21)20-16(2)19(22)23-17/h3,16-17H,1,4-15H2,2H3,(H,20,21)/t16-,17?/m0/s1
InChIKeyIVPMCBRCMAQPSO-BHWOMJMDSA-N
MW323.48 g/mol
LogP4.28
Rot. Bonds1

About (3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione

(3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione (PubChem CID 134959448) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is (3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione.

Molecular Properties

Compound Name(3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione
PubChem CID134959448
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name(3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione
SMILESC=CC1CCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O1
InChIInChI=1S/C19H33NO3/c1-3-17-14-12-10-8-6-4-5-7-9-11-13-15-18(21)20-16(2)19(22)23-17/h3,16-17H,1,4-15H2,2H3,(H,20,21)/t16-,17?/m0/s1
InChIKeyIVPMCBRCMAQPSO-BHWOMJMDSA-N
XLogP4.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione with MolForge

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Related Compounds

Diacetyl Halaminol A
CID 10968962
Ethyl (2S)-2-acetamidonon-8-enoate
CID 53993646
d-Allylglycine, n-pentadecafluoroocranoyl-, hexyl ester
CID 91745593
d-Allylglycine, n-pentadecafluorooctanoyl-, heptyl ester
CID 91745594
l-Allylglycine, N-pentadecafluorooctanoyl-, undecyl ester
CID 91745597
l-Allylglycine, N-pentadecafluorooctanoyl-, pentadecyl ester
CID 91745598
d-Allylglycine, n-pentadecafluorooctanoyl-, octyl ester
CID 91745600
d-Allylglycine, n-pentadecafluorooctanoyl-, decyl ester
CID 91745601
l-Allylglycine, N-pentadecafluorooctanoyl-, dodecyl ester
CID 91745602
d-Allylglycine, n-pentadecafluorooctanoyl-, nonyl ester
CID 91745603
l-Allylglycine, N-pentadecafluorooctanoyl-, tetradecyl ester
CID 91745610
d-Allylglycine, n-pentadecafluorooctanoyl-, hexadecyl ester
CID 91745611

Frequently Asked Questions

What is the IUPAC name of (3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione?
The IUPAC name of (3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione (CID 134959448) is (3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione.
What is the SMILES notation for (3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione?
The canonical SMILES for (3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione is C=CC1CCCCCCCCCCCCC(=O)N[C@@H](C)C(=O)O1.
What is the InChIKey of (3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione?
The InChIKey is IVPMCBRCMAQPSO-BHWOMJMDSA-N. The full InChI is InChI=1S/C19H33NO3/c1-3-17-14-12-10-8-6-4-5-7-9-11-13-15-18(21)20-16(2)19(22)23-17/h3,16-17H,1,4-15H2,2H3,(H,20,21)/t16-,17?/m0/s1.
What are the key properties of (3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione?
(3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione has a molecular weight of 323.48 g/mol, XLogP of 4.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-18-ethenyl-3-methyl-1-oxa-4-azacyclooctadecane-2,5-dione is sourced from PubChem (CID 134959448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).