prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate

C14H24N2O5 — CID 19099346

IUPACprop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate
SMILESC=CCOC(=O)NCC(CN(C)C(=O)OCC=C)C(C)O
InChIInChI=1S/C14H24N2O5/c1-5-7-20-13(18)15-9-12(11(3)17)10-16(4)14(19)21-8-6-2/h5-6,11-12,17H,1-2,7-10H2,3-4H3,(H,15,18)
InChIKeyPNZFEOUSDNMKFN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.15
Rot. Bonds9

About prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate

prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate (PubChem CID 19099346) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate.

Molecular Properties

Compound Nameprop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate
PubChem CID19099346
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Nameprop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate
SMILESC=CCOC(=O)NCC(CN(C)C(=O)OCC=C)C(C)O
InChIInChI=1S/C14H24N2O5/c1-5-7-20-13(18)15-9-12(11(3)17)10-16(4)14(19)21-8-6-2/h5-6,11-12,17H,1-2,7-10H2,3-4H3,(H,15,18)
InChIKeyPNZFEOUSDNMKFN-UHFFFAOYSA-N
XLogP1.15
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate?
The IUPAC name of prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate (CID 19099346) is prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate.
What is the SMILES notation for prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate?
The canonical SMILES for prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate is C=CCOC(=O)NCC(CN(C)C(=O)OCC=C)C(C)O.
What is the InChIKey of prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate?
The InChIKey is PNZFEOUSDNMKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-5-7-20-13(18)15-9-12(11(3)17)10-16(4)14(19)21-8-6-2/h5-6,11-12,17H,1-2,7-10H2,3-4H3,(H,15,18).
What are the key properties of prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate?
prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate has a molecular weight of 300.36 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N-[3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate is sourced from PubChem (CID 19099346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).