tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate

C21H37NO4 — CID 144515499

IUPACtert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CCCOC/C(C)=C\CCC(C=C)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C21H37NO4/c1-8-14-22(20(23)26-21(4,5)6)15-11-16-25-17-18(3)12-10-13-19(9-2)24-7/h8-9,12,19H,1-2,10-11,13-17H2,3-7H3/b18-12-
InChIKeyLBDQJLLXZQJMOM-PDGQHHTCSA-N
MW367.53 g/mol
LogP4.74
Rot. Bonds13

About tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate

tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate (PubChem CID 144515499) has the molecular formula C21H37NO4 and a molecular weight of 367.53 g/mol. Its IUPAC name is tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
PubChem CID144515499
Molecular FormulaC21H37NO4
Molecular Weight367.53 g/mol
Exact Mass367.27
IUPAC Nametert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
SMILESC=CCN(CCCOC/C(C)=C\CCC(C=C)OC)C(=O)OC(C)(C)C
InChIInChI=1S/C21H37NO4/c1-8-14-22(20(23)26-21(4,5)6)15-11-16-25-17-18(3)12-10-13-19(9-2)24-7/h8-9,12,19H,1-2,10-11,13-17H2,3-7H3/b18-12-
InChIKeyLBDQJLLXZQJMOM-PDGQHHTCSA-N
XLogP4.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate
CID 10973571
tert-butyl 4-[(E)-hex-2-enoxy]piperidine-1-carboxylate
CID 121005243
[(1S,4S)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] acetate
CID 21027492
tert-butyl 5-(acetyloxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 21710518
(1S-cis)-4-(di-tert-butoxycarbonylamino)cyclopent-2-enyl acetate
CID 69546006
tert-butyl N-[3-(5-hydroxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy)propyl]-N-prop-2-enylcarbamate
CID 77987289
tert-butyl N-[3-[(2Z,4R,5S,6S)-5-hydroxy-6-methoxy-2,4-dimethylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
CID 89394331
tert-butyl N-[3-[(2Z)-5-hydroxy-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate
CID 144515504
tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate;ethane
CID 144515505
1-[(7E,12Z)-9-methoxy-13-methyl-1-oxa-5-azacyclotetradeca-7,12-dien-5-yl]ethanone
CID 144515554
[(1S,4R)-4-[but-3-enyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] 3-methylbut-3-enoate
CID 12000474
tert-butyl (6R)-6-[[(2S)-4-methyl-6-oxo-2,5-dihydropyran-2-yl]methyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 12000519

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate (CID 144515499) is tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate is C=CCN(CCCOC/C(C)=C\CCC(C=C)OC)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate?
The InChIKey is LBDQJLLXZQJMOM-PDGQHHTCSA-N. The full InChI is InChI=1S/C21H37NO4/c1-8-14-22(20(23)26-21(4,5)6)15-11-16-25-17-18(3)12-10-13-19(9-2)24-7/h8-9,12,19H,1-2,10-11,13-17H2,3-7H3/b18-12-.
What are the key properties of tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate?
tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate has a molecular weight of 367.53 g/mol, XLogP of 4.74, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(2Z)-6-methoxy-2-methylocta-2,7-dienoxy]propyl]-N-prop-2-enylcarbamate is sourced from PubChem (CID 144515499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).