tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate

C15H28N2O3 — CID 106397204

IUPACtert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate
SMILESC=CCCOCCNC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-6-8-19-9-7-16-12-10-13(11-12)17-14(18)20-15(2,3)4/h5,12-13,16H,1,6-11H2,2-4H3,(H,17,18)
InChIKeyYJGCQCBHBOWGIL-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.22
Rot. Bonds8

About tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate

tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate (PubChem CID 106397204) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate
PubChem CID106397204
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate
SMILESC=CCCOCCNC1CC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-5-6-8-19-9-7-16-12-10-13(11-12)17-14(18)20-15(2,3)4/h5,12-13,16H,1,6-11H2,2-4H3,(H,17,18)
InChIKeyYJGCQCBHBOWGIL-UHFFFAOYSA-N
XLogP2.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
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

Ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]but-3-enoate
CID 164040924
tert-butyl N-[(2S)-1-(2-methylbutan-2-yloxy)but-3-en-2-yl]carbamate
CID 53375450
tert-butyl N-[3-(2-ethoxyethylamino)cyclobutyl]carbamate
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tert-butyl N-[3-(1-ethoxypropan-2-ylamino)cyclobutyl]carbamate
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Tert-butyl 3-(2-but-3-enoxyethylamino)azetidine-1-carboxylate
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tert-butyl N-[2-(but-3-en-1-yloxy)ethyl]carbamate
CID 103853992
Tert-butyl 4-(2-but-3-enoxyethylamino)piperidine-1-carboxylate
CID 103854342
Tert-butyl 3-(2-but-3-enoxyethylamino)pyrrolidine-1-carboxylate
CID 103854445
tert-butyl N-[2-(2-but-3-enoxyethylamino)ethyl]carbamate
CID 103854463
tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate
CID 106396997
tert-butyl N-[2-[(2-but-3-enoxyethylamino)methyl]-3-methylbutyl]carbamate
CID 106397008
tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclopentyl]carbamate
CID 106397197

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate (CID 106397204) is tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate is C=CCCOCCNC1CC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate?
The InChIKey is YJGCQCBHBOWGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-6-8-19-9-7-16-12-10-13(11-12)17-14(18)20-15(2,3)4/h5,12-13,16H,1,6-11H2,2-4H3,(H,17,18).
What are the key properties of tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate?
tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-but-3-enoxyethylamino)cyclobutyl]carbamate is sourced from PubChem (CID 106397204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).