methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate

C14H16N2O4 — CID 51521239

IUPACmethyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate
SMILESCOC(=O)N/C=C\c1ccc(/C=C\NC(=O)OC)cc1
InChIInChI=1S/C14H16N2O4/c1-19-13(17)15-9-7-11-3-5-12(6-4-11)8-10-16-14(18)20-2/h3-10H,1-2H3,(H,15,17)(H,16,18)/b9-7-,10-8-
InChIKeyFZULAHKVJDOLJE-XOHWUJONSA-N
MW276.29 g/mol
LogP2.34
Rot. Bonds4

About methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate

methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate (PubChem CID 51521239) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate
PubChem CID51521239
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate
SMILESCOC(=O)N/C=C\c1ccc(/C=C\NC(=O)OC)cc1
InChIInChI=1S/C14H16N2O4/c1-19-13(17)15-9-7-11-3-5-12(6-4-11)8-10-16-14(18)20-2/h3-10H,1-2H3,(H,15,17)(H,16,18)/b9-7-,10-8-
InChIKeyFZULAHKVJDOLJE-XOHWUJONSA-N
XLogP2.34
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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methyl N-[(Z)-2-phenylethenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate?
The IUPAC name of methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate (CID 51521239) is methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate.
What is the SMILES notation for methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate?
The canonical SMILES for methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate is COC(=O)N/C=C\c1ccc(/C=C\NC(=O)OC)cc1.
What is the InChIKey of methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate?
The InChIKey is FZULAHKVJDOLJE-XOHWUJONSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-19-13(17)15-9-7-11-3-5-12(6-4-11)8-10-16-14(18)20-2/h3-10H,1-2H3,(H,15,17)(H,16,18)/b9-7-,10-8-.
What are the key properties of methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate?
methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate has a molecular weight of 276.29 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(Z)-2-[4-[(Z)-2-(methoxycarbonylamino)ethenyl]phenyl]ethenyl]carbamate is sourced from PubChem (CID 51521239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).