tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate

C21H35NO4 — CID 11089840

IUPACtert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate
SMILESCCCC1C/C=C\C/C=C\CCCC(=O)OCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H35NO4/c1-5-13-18-14-11-9-7-6-8-10-12-15-19(23)25-17-16-22(18)20(24)26-21(2,3)4/h6,8-9,11,18H,5,7,10,12-17H2,1-4H3/b8-6-,11-9-
InChIKeyOCTODRHLVATCBV-BBDSXROGSA-N
MW365.51 g/mol
LogP5.01
Rot. Bonds2

About tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate

tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate (PubChem CID 11089840) has the molecular formula C21H35NO4 and a molecular weight of 365.51 g/mol. Its IUPAC name is tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate
PubChem CID11089840
Molecular FormulaC21H35NO4
Molecular Weight365.51 g/mol
Exact Mass365.26
IUPAC Nametert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate
SMILESCCCC1C/C=C\C/C=C\CCCC(=O)OCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C21H35NO4/c1-5-13-18-14-11-9-7-6-8-10-12-15-19(23)25-17-16-22(18)20(24)26-21(2,3)4/h6,8-9,11,18H,5,7,10,12-17H2,1-4H3/b8-6-,11-9-
InChIKeyOCTODRHLVATCBV-BBDSXROGSA-N
XLogP5.01
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.51
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl (5S,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadec-10-ene-4-carboxylate
CID 11068590
tert-butyl (5R,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadec-10-ene-4-carboxylate
CID 44142958
1-(tert-Butyl) 2-ethyl (S)-4-methyl-3,6-dihydropyridine-1,2(2H)-dicarboxylate
CID 54234952
ethyl (E,2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-fluorohept-5-enoate
CID 89934035
[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]hept-6-en-3-yl] acetate
CID 25137291
tert-butyl (2S)-2-[(1S)-1-acetyloxypropyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 134859693
Tert-butyl 15-oxo-5-propyl-1-oxa-4-azacyclopentadec-10-ene-4-carboxylate
CID 73075794
methyl (Z,2S)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]icos-5-enoate
CID 10530471
methyl (2S,5Z,8Z)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]icosa-5,8-dienoate
CID 100924399
methyl (2S,5Z,14Z)-2-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]icosa-5,14-dienoate
CID 100924401
tert-Butyl (S)-2-(bis(tert-butoxycarbonyl)amino)hex-5-enoate
CID 10960000
Ethyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hept-6-enoate
CID 16106761

Frequently Asked Questions

What is the IUPAC name of tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate?
The IUPAC name of tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate (CID 11089840) is tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate.
What is the SMILES notation for tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate?
The canonical SMILES for tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate is CCCC1C/C=C\C/C=C\CCCC(=O)OCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate?
The InChIKey is OCTODRHLVATCBV-BBDSXROGSA-N. The full InChI is InChI=1S/C21H35NO4/c1-5-13-18-14-11-9-7-6-8-10-12-15-19(23)25-17-16-22(18)20(24)26-21(2,3)4/h6,8-9,11,18H,5,7,10,12-17H2,1-4H3/b8-6-,11-9-.
What are the key properties of tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate?
tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate has a molecular weight of 365.51 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (7Z,10Z)-15-oxo-5-propyl-1-oxa-4-azacyclopentadeca-7,10-diene-4-carboxylate is sourced from PubChem (CID 11089840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).