[4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate

C13H16N2O4 — CID 46884810

IUPAC[4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate
SMILESC=C[C@H](OC(=O)NC)c1ccc(OC(=O)NC)cc1
InChIInChI=1S/C13H16N2O4/c1-4-11(19-13(17)15-3)9-5-7-10(8-6-9)18-12(16)14-2/h4-8,11H,1H2,2-3H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyNUTNKNJILFFSSR-NSHDSACASA-N
MW264.28 g/mol
LogP1.99
Rot. Bonds4

About [4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate

[4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate (PubChem CID 46884810) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is [4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate
PubChem CID46884810
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name[4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate
SMILESC=C[C@H](OC(=O)NC)c1ccc(OC(=O)NC)cc1
InChIInChI=1S/C13H16N2O4/c1-4-11(19-13(17)15-3)9-5-7-10(8-6-9)18-12(16)14-2/h4-8,11H,1H2,2-3H3,(H,14,16)(H,15,17)/t11-/m0/s1
InChIKeyNUTNKNJILFFSSR-NSHDSACASA-N
XLogP1.99
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Fenobucarb
CID 19588
Isoprocarb
CID 17517
Metolcarb
CID 14322
M-Cumenyl Methylcarbamate
CID 6143
m-(1-Methylbutyl)phenyl methylcarbamate
CID 16787
Xylylcarb
CID 17040
M-(1-Ethylpropyl)phenyl methylcarbamate
CID 12643
Phenol, 2-cyclopentyl-, 1-(N-methylcarbamate)
CID 18666
Fenethacarb
CID 34810
Phenol, 3-(1,1-dimethylethyl)-, 1-(N-methylcarbamate)
CID 13072
4-Methoxybenzyl azidoformate
CID 117521
Paxamate
CID 71210

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate?
The IUPAC name of [4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate (CID 46884810) is [4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate.
What is the SMILES notation for [4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate?
The canonical SMILES for [4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate is C=C[C@H](OC(=O)NC)c1ccc(OC(=O)NC)cc1.
What is the InChIKey of [4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate?
The InChIKey is NUTNKNJILFFSSR-NSHDSACASA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-11(19-13(17)15-3)9-5-7-10(8-6-9)18-12(16)14-2/h4-8,11H,1H2,2-3H3,(H,14,16)(H,15,17)/t11-/m0/s1.
What are the key properties of [4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate?
[4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate has a molecular weight of 264.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(methylcarbamoyloxy)prop-2-enyl]phenyl] N-methylcarbamate is sourced from PubChem (CID 46884810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).