(4-ethenylphenyl)methyl 4-(ethylamino)benzoate

C18H19NO2 — CID 89090655

IUPAC(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
SMILESC=Cc1ccc(COC(=O)c2ccc(NCC)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-3-14-5-7-15(8-6-14)13-21-18(20)16-9-11-17(12-10-16)19-4-2/h3,5-12,19H,1,4,13H2,2H3
InChIKeyGURMGOZENVMTJB-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.12
Rot. Bonds6

About (4-ethenylphenyl)methyl 4-(ethylamino)benzoate

(4-ethenylphenyl)methyl 4-(ethylamino)benzoate (PubChem CID 89090655) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (4-ethenylphenyl)methyl 4-(ethylamino)benzoate.

Molecular Properties

Compound Name(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
PubChem CID89090655
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(4-ethenylphenyl)methyl 4-(ethylamino)benzoate
SMILESC=Cc1ccc(COC(=O)c2ccc(NCC)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-3-14-5-7-15(8-6-14)13-21-18(20)16-9-11-17(12-10-16)19-4-2/h3,5-12,19H,1,4,13H2,2H3
InChIKeyGURMGOZENVMTJB-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-ethenylphenyl)methyl 4-ethoxycarbonyloxybenzoate
CID 122625881
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704
(4-ethenylphenyl)methyl 4-azidobenzoate
CID 138593704
2-[4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoyl]oxyethyl 4-[4-[(4-ethenylphenyl)methoxymethyl]-N-[4-[(4-ethenylphenyl)methoxymethyl]phenyl]anilino]benzoate
CID 89417418
(4-ethenylphenyl)methyl 2,2-dimethylbutanoate
CID 20764938
bis[(4-ethenylphenyl)methyl] 2,5-diacetylbenzene-1,4-dicarboxylate
CID 164789063
N-ethyl-4-(prop-1-en-2-yloxymethyl)aniline
CID 153362594
ethane;[4-(ethylamino)phenyl]methyl 2-methylpropanoate
CID 170794624
prop-2-enyl 4-[(4-tert-butylbenzoyl)oxymethyl]benzoate
CID 21474565
2-methoxyethyl 4-ethenylbenzoate
CID 58960727
2-[(4-ethenylphenyl)methoxycarbonyl]terephthalic acid
CID 54141811
(4-ethenylphenyl)methyl 2-methylprop-2-enoate
CID 14794067

Frequently Asked Questions

What is the IUPAC name of (4-ethenylphenyl)methyl 4-(ethylamino)benzoate?
The IUPAC name of (4-ethenylphenyl)methyl 4-(ethylamino)benzoate (CID 89090655) is (4-ethenylphenyl)methyl 4-(ethylamino)benzoate.
What is the SMILES notation for (4-ethenylphenyl)methyl 4-(ethylamino)benzoate?
The canonical SMILES for (4-ethenylphenyl)methyl 4-(ethylamino)benzoate is C=Cc1ccc(COC(=O)c2ccc(NCC)cc2)cc1.
What is the InChIKey of (4-ethenylphenyl)methyl 4-(ethylamino)benzoate?
The InChIKey is GURMGOZENVMTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-14-5-7-15(8-6-14)13-21-18(20)16-9-11-17(12-10-16)19-4-2/h3,5-12,19H,1,4,13H2,2H3.
What are the key properties of (4-ethenylphenyl)methyl 4-(ethylamino)benzoate?
(4-ethenylphenyl)methyl 4-(ethylamino)benzoate has a molecular weight of 281.36 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenylphenyl)methyl 4-(ethylamino)benzoate is sourced from PubChem (CID 89090655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).