tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate

C15H25NO3 — CID 155082314

IUPACtert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate
SMILESC=CN(C(=O)OC(C)(C)C)/C(C)=C/C(=C\CC)OC
InChIInChI=1S/C15H25NO3/c1-8-10-13(18-7)11-12(3)16(9-2)14(17)19-15(4,5)6/h9-11H,2,8H2,1,3-7H3/b12-11+,13-10+
InChIKeyAXPIRENAFUONLZ-JASOSIDASA-N
MW267.37 g/mol
LogP4.21
Rot. Bonds5

About tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate

tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate (PubChem CID 155082314) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate
PubChem CID155082314
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Nametert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate
SMILESC=CN(C(=O)OC(C)(C)C)/C(C)=C/C(=C\CC)OC
InChIInChI=1S/C15H25NO3/c1-8-10-13(18-7)11-12(3)16(9-2)14(17)19-15(4,5)6/h9-11H,2,8H2,1,3-7H3/b12-11+,13-10+
InChIKeyAXPIRENAFUONLZ-JASOSIDASA-N
XLogP4.21
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate?
The IUPAC name of tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate (CID 155082314) is tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate?
The canonical SMILES for tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate is C=CN(C(=O)OC(C)(C)C)/C(C)=C/C(=C\CC)OC.
What is the InChIKey of tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate?
The InChIKey is AXPIRENAFUONLZ-JASOSIDASA-N. The full InChI is InChI=1S/C15H25NO3/c1-8-10-13(18-7)11-12(3)16(9-2)14(17)19-15(4,5)6/h9-11H,2,8H2,1,3-7H3/b12-11+,13-10+.
What are the key properties of tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate?
tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate has a molecular weight of 267.37 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethenyl-N-[(2E,4E)-4-methoxyhepta-2,4-dien-2-yl]carbamate is sourced from PubChem (CID 155082314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).