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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Related Compounds

prop-2-enyl N-[(2S,3R)-3-hydroxy-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate
CID 57160385
prop-2-enyl N-(2-aminopropyl)carbamate
CID 11321103
3-methyl-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 65220019
ethane;prop-2-enyl N-ethyl-N-methylcarbamate
CID 142891984
(2R)-2-[(prop-2-enoxycarbonylamino)methyl]butanoic acid
CID 167742277
[(2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2-[[methyl(prop-2-enoxycarbonyl)amino]methyl]butyl] methanesulfonate
CID 54020024
prop-2-enyl N-[(2S)-4-[(2R,3S)-3-[(2R)-1-dimethylsilyloxy-3,3-dimethylbutan-2-yl]-4-oxoazetidin-2-yl]-3-oxo-2-[(prop-2-enoxycarbonylamino)methyl]butyl]-N-methylcarbamate
CID 173351141
4-methylpentyl 2-[methyl(prop-2-enoxycarbonyl)amino]acetate
CID 91713125
prop-2-enyl N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]carbamate
CID 89280805
prop-2-enyl N-methyl-N-(oxiran-2-ylmethyl)carbamate
CID 59768322
prop-2-enyl N-[(2R)-3-acetamido-2-(4-methylphenyl)propyl]carbamate
CID 25270369
fermium;2-methyl-3-[methyl(prop-2-enoxycarbonyl)amino]-2-(oxomethylamino)propanoic acid
CID 171810743

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).