benzyl-[(2-ethenylphenyl)methyl]carbamic acid

C17H17NO2 — CID 19037167

IUPACbenzyl-[(2-ethenylphenyl)methyl]carbamic acid
SMILESC=Cc1ccccc1CN(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H17NO2/c1-2-15-10-6-7-11-16(15)13-18(17(19)20)12-14-8-4-3-5-9-14/h2-11H,1,12-13H2,(H,19,20)
InChIKeyBTIPPRKGGYLSDS-UHFFFAOYSA-N
MW267.33 g/mol
LogP4.01
Rot. Bonds5

About benzyl-[(2-ethenylphenyl)methyl]carbamic acid

benzyl-[(2-ethenylphenyl)methyl]carbamic acid (PubChem CID 19037167) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is benzyl-[(2-ethenylphenyl)methyl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(2-ethenylphenyl)methyl]carbamic acid
PubChem CID19037167
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namebenzyl-[(2-ethenylphenyl)methyl]carbamic acid
SMILESC=Cc1ccccc1CN(Cc1ccccc1)C(=O)O
InChIInChI=1S/C17H17NO2/c1-2-15-10-6-7-11-16(15)13-18(17(19)20)12-14-8-4-3-5-9-14/h2-11H,1,12-13H2,(H,19,20)
InChIKeyBTIPPRKGGYLSDS-UHFFFAOYSA-N
XLogP4.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-N-[(2-ethenylphenyl)methyl]prop-2-en-1-amine
CID 122203539
tert-butyl-[(2-ethenylphenyl)methyl]carbamic acid
CID 67182914
N,N-dibenzylbut-3-enamide
CID 134848345
1,2-diphenylethane-1,2-dione;1-ethenyl-2-ethylbenzene
CID 174766934
2-(2-ethenylphenyl)-N,N-diethylacetamide
CID 122394792
1-(4-bromophenyl)-N-[(4-bromophenyl)methyl]-N-[(2-ethenylphenyl)methyl]methanamine
CID 146208765
benzyl(ethenyl)carbamic acid
CID 22377754
lithium N,N-dibenzylcarbamoselenoate
CID 102135348
2-[benzyl(prop-2-enyl)amino]-2-oxoacetic acid
CID 130696057
N-benzyl-N-prop-2-enylcarbamodithioate
CID 171600521
5-(2-ethenylphenyl)pentanoic acid
CID 91512730
bis(N,N-dibenzylcarbamodithioate);zinc
CID 4641127

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2-ethenylphenyl)methyl]carbamic acid?
The IUPAC name of benzyl-[(2-ethenylphenyl)methyl]carbamic acid (CID 19037167) is benzyl-[(2-ethenylphenyl)methyl]carbamic acid.
What is the SMILES notation for benzyl-[(2-ethenylphenyl)methyl]carbamic acid?
The canonical SMILES for benzyl-[(2-ethenylphenyl)methyl]carbamic acid is C=Cc1ccccc1CN(Cc1ccccc1)C(=O)O.
What is the InChIKey of benzyl-[(2-ethenylphenyl)methyl]carbamic acid?
The InChIKey is BTIPPRKGGYLSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2/c1-2-15-10-6-7-11-16(15)13-18(17(19)20)12-14-8-4-3-5-9-14/h2-11H,1,12-13H2,(H,19,20).
What are the key properties of benzyl-[(2-ethenylphenyl)methyl]carbamic acid?
benzyl-[(2-ethenylphenyl)methyl]carbamic acid has a molecular weight of 267.33 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2-ethenylphenyl)methyl]carbamic acid is sourced from PubChem (CID 19037167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).