prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate

C13H24N2O4 — CID 640143

IUPACprop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
SMILESC=CCOC(=O)NCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-5-10-18-11(16)14-8-6-7-9-15-12(17)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,14,16)(H,15,17)
InChIKeyIHXLKXREWWFZSR-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.20
Rot. Bonds7

About prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate

prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate (PubChem CID 640143) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
PubChem CID640143
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameprop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
SMILESC=CCOC(=O)NCCCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-5-10-18-11(16)14-8-6-7-9-15-12(17)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,14,16)(H,15,17)
InChIKeyIHXLKXREWWFZSR-UHFFFAOYSA-N
XLogP2.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.20
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 prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate?
The IUPAC name of prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate (CID 640143) is prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate.
What is the SMILES notation for prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate?
The canonical SMILES for prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate is C=CCOC(=O)NCCCCNC(=O)OC(C)(C)C.
What is the InChIKey of prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate?
The InChIKey is IHXLKXREWWFZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-10-18-11(16)14-8-6-7-9-15-12(17)19-13(2,3)4/h5H,1,6-10H2,2-4H3,(H,14,16)(H,15,17).
What are the key properties of prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate?
prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate has a molecular weight of 272.34 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate is sourced from PubChem (CID 640143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).