methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate

C15H19NO2 — CID 10263907

IUPACmethyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate
SMILESC=CCN(CC=C)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H19NO2/c1-4-10-16(11-5-2)12-13-6-8-14(9-7-13)15(17)18-3/h4-9H,1-2,10-12H2,3H3
InChIKeyGHLJHWLZFSTJCY-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.65
Rot. Bonds7

About methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate

methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate (PubChem CID 10263907) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate
PubChem CID10263907
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Namemethyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate
SMILESC=CCN(CC=C)Cc1ccc(C(=O)OC)cc1
InChIInChI=1S/C15H19NO2/c1-4-10-16(11-5-2)12-13-6-8-14(9-7-13)15(17)18-3/h4-9H,1-2,10-12H2,3H3
InChIKeyGHLJHWLZFSTJCY-UHFFFAOYSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[bis(prop-2-enyl)amino]benzoate
CID 11806509
4-[[bis(prop-2-enyl)amino]methyl]-N-phenylbenzamide
CID 78821935
methyl 4-[[(2-methoxy-2-oxoethyl)-methylamino]methyl]benzoate
CID 55025135
methyl 4-(bromomethyl)benzoate;methyl 4-[(dimethylamino)methyl]benzoate
CID 70071463
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65062900
2-[(4-methoxycarbonylphenyl)methyl-propylamino]acetic acid
CID 65064783
methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate
CID 142934382
[4-[[bis(prop-2-enyl)amino]methyl]phenyl]methanol
CID 83794067
methyl 4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 43216141
methyl 4-hex-5-enylbenzoate
CID 15527474
methyl 4-[[[4-(diethylaminomethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 34673655

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate (CID 10263907) is methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate is C=CCN(CC=C)Cc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate?
The InChIKey is GHLJHWLZFSTJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-4-10-16(11-5-2)12-13-6-8-14(9-7-13)15(17)18-3/h4-9H,1-2,10-12H2,3H3.
What are the key properties of methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate?
methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate has a molecular weight of 245.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[bis(prop-2-enyl)amino]methyl]benzoate is sourced from PubChem (CID 10263907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).