formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate

C22H25NO5 — CID 145279110

IUPACformic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate
SMILESC/C=C/c1cc(N(C)/C(=C/C)c2ccccc2OC=O)ccc1OC.O=CO
InChIInChI=1S/C21H23NO3.CH2O2/c1-5-9-16-14-17(12-13-20(16)24-4)22(3)19(6-2)18-10-7-8-11-21(18)25-15-23;2-1-3/h5-15H,1-4H3;1H,(H,2,3)/b9-5+,19-6+;
InChIKeyHDIIQQPIHXWOAJ-OGTXARBPSA-N
MW383.44 g/mol
LogP4.46
Rot. Bonds7

About formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate

formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate (PubChem CID 145279110) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate.

Molecular Properties

Compound Nameformic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate
PubChem CID145279110
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Nameformic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate
SMILESC/C=C/c1cc(N(C)/C(=C/C)c2ccccc2OC=O)ccc1OC.O=CO
InChIInChI=1S/C21H23NO3.CH2O2/c1-5-9-16-14-17(12-13-20(16)24-4)22(3)19(6-2)18-10-7-8-11-21(18)25-15-23;2-1-3/h5-15H,1-4H3;1H,(H,2,3)/b9-5+,19-6+;
InChIKeyHDIIQQPIHXWOAJ-OGTXARBPSA-N
XLogP4.46
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate?
The IUPAC name of formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate (CID 145279110) is formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate.
What is the SMILES notation for formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate?
The canonical SMILES for formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate is C/C=C/c1cc(N(C)/C(=C/C)c2ccccc2OC=O)ccc1OC.O=CO.
What is the InChIKey of formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate?
The InChIKey is HDIIQQPIHXWOAJ-OGTXARBPSA-N. The full InChI is InChI=1S/C21H23NO3.CH2O2/c1-5-9-16-14-17(12-13-20(16)24-4)22(3)19(6-2)18-10-7-8-11-21(18)25-15-23;2-1-3/h5-15H,1-4H3;1H,(H,2,3)/b9-5+,19-6+;.
What are the key properties of formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate?
formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate has a molecular weight of 383.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;[2-[(E)-1-[4-methoxy-N-methyl-3-[(E)-prop-1-enyl]anilino]prop-1-enyl]phenyl] formate is sourced from PubChem (CID 145279110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).