tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate

C15H30N2O3 — CID 103390950

IUPACtert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate
SMILESC=CCCNC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C15H30N2O3/c1-6-7-10-16-13(12-19-5)9-8-11-17-14(18)20-15(2,3)4/h6,13,16H,1,7-12H2,2-5H3,(H,17,18)
InChIKeyNGDRNXYUQFIUCF-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.47
Rot. Bonds10

About tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate

tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate (PubChem CID 103390950) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate
PubChem CID103390950
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate
SMILESC=CCCNC(CCCNC(=O)OC(C)(C)C)COC
InChIInChI=1S/C15H30N2O3/c1-6-7-10-16-13(12-19-5)9-8-11-17-14(18)20-15(2,3)4/h6,13,16H,1,7-12H2,2-5H3,(H,17,18)
InChIKeyNGDRNXYUQFIUCF-UHFFFAOYSA-N
XLogP2.47
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate?
The IUPAC name of tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate (CID 103390950) is tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate is C=CCCNC(CCCNC(=O)OC(C)(C)C)COC.
What is the InChIKey of tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate?
The InChIKey is NGDRNXYUQFIUCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-7-10-16-13(12-19-5)9-8-11-17-14(18)20-15(2,3)4/h6,13,16H,1,7-12H2,2-5H3,(H,17,18).
What are the key properties of tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate?
tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate has a molecular weight of 286.42 g/mol, XLogP of 2.47, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(but-3-enylamino)-5-methoxypentyl]carbamate is sourced from PubChem (CID 103390950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).