methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid

C17H17NO2 — CID 22078522

IUPACmethyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid
SMILESCN(C/C=C/c1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H17NO2/c1-18(17(19)20)13-7-11-15-10-5-6-12-16(15)14-8-3-2-4-9-14/h2-12H,13H2,1H3,(H,19,20)/b11-7+
InChIKeyAFAYOQWNZUNUEL-YRNVUSSQSA-N
MW267.33 g/mol
LogP3.98
Rot. Bonds4

About methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid

methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid (PubChem CID 22078522) has the molecular formula C17H17NO2 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid
PubChem CID22078522
Molecular FormulaC17H17NO2
Molecular Weight267.33 g/mol
Exact Mass267.13
IUPAC Namemethyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid
SMILESCN(C/C=C/c1ccccc1-c1ccccc1)C(=O)O
InChIInChI=1S/C17H17NO2/c1-18(17(19)20)13-7-11-15-10-5-6-12-16(15)14-8-3-2-4-9-14/h2-12H,13H2,1H3,(H,19,20)/b11-7+
InChIKeyAFAYOQWNZUNUEL-YRNVUSSQSA-N
XLogP3.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid?
The IUPAC name of methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid (CID 22078522) is methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid.
What is the SMILES notation for methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid?
The canonical SMILES for methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid is CN(C/C=C/c1ccccc1-c1ccccc1)C(=O)O.
What is the InChIKey of methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid?
The InChIKey is AFAYOQWNZUNUEL-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H17NO2/c1-18(17(19)20)13-7-11-15-10-5-6-12-16(15)14-8-3-2-4-9-14/h2-12H,13H2,1H3,(H,19,20)/b11-7+.
What are the key properties of methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid?
methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid has a molecular weight of 267.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(E)-3-(2-phenylphenyl)prop-2-enyl]carbamic acid is sourced from PubChem (CID 22078522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).