tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate

C15H27NO4 — CID 123405533

IUPACtert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate
SMILESC=C(C=CC)OCCOCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-7-8-13(2)19-12-11-18-10-9-16(6)14(17)20-15(3,4)5/h7-8H,2,9-12H2,1,3-6H3
InChIKeyZJBKQQAKUMESOC-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.98
Rot. Bonds8

About tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate

tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate (PubChem CID 123405533) has the molecular formula C15H27NO4 and a molecular weight of 285.38 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate
PubChem CID123405533
Molecular FormulaC15H27NO4
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Nametert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate
SMILESC=C(C=CC)OCCOCCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO4/c1-7-8-13(2)19-12-11-18-10-9-16(6)14(17)20-15(3,4)5/h7-8H,2,9-12H2,1,3-6H3
InChIKeyZJBKQQAKUMESOC-UHFFFAOYSA-N
XLogP2.98
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
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tert-butyl N-(2-but-1-en-2-yloxyethyl)-N-methylcarbamate
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tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]-N-methylcarbamate
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2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl 2,2-dimethylpropanoate
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tert-butyl N-[2-[2-[2-butoxyethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethyl]-N-methylcarbamate
CID 158067322
methyl 3-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;3-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
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tert-butyl N-methyl-N-pent-4-enylcarbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate (CID 123405533) is tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate is C=C(C=CC)OCCOCCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate?
The InChIKey is ZJBKQQAKUMESOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO4/c1-7-8-13(2)19-12-11-18-10-9-16(6)14(17)20-15(3,4)5/h7-8H,2,9-12H2,1,3-6H3.
What are the key properties of tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate?
tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate has a molecular weight of 285.38 g/mol, XLogP of 2.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-(2-penta-1,3-dien-2-yloxyethoxy)ethyl]carbamate is sourced from PubChem (CID 123405533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).