tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate

C17H32N2O4 — CID 135235151

IUPACtert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate
SMILESC=CC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-8-13(9-11-18-14(20)22-16(2,3)4)10-12-19-15(21)23-17(5,6)7/h8,13H,1,9-12H2,2-7H3,(H,18,20)(H,19,21)
InChIKeyDASFXKJNCYOHBR-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.62
Rot. Bonds7

About tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate

tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate (PubChem CID 135235151) has the molecular formula C17H32N2O4 and a molecular weight of 328.45 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate
PubChem CID135235151
Molecular FormulaC17H32N2O4
Molecular Weight328.45 g/mol
Exact Mass328.24
IUPAC Nametert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate
SMILESC=CC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O4/c1-8-13(9-11-18-14(20)22-16(2,3)4)10-12-19-15(21)23-17(5,6)7/h8,13H,1,9-12H2,2-7H3,(H,18,20)(H,19,21)
InChIKeyDASFXKJNCYOHBR-UHFFFAOYSA-N
XLogP3.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate (CID 135235151) is tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate is C=CC(CCNC(=O)OC(C)(C)C)CCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate?
The InChIKey is DASFXKJNCYOHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O4/c1-8-13(9-11-18-14(20)22-16(2,3)4)10-12-19-15(21)23-17(5,6)7/h8,13H,1,9-12H2,2-7H3,(H,18,20)(H,19,21).
What are the key properties of tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate?
tert-butyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate has a molecular weight of 328.45 g/mol, XLogP of 3.62, 7 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-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pent-4-enyl]carbamate is sourced from PubChem (CID 135235151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).