2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid

C18H18N2O4 — CID 108903974

IUPAC2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid
SMILESCOc1ccccc1/C=C/NC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C18H18N2O4/c1-24-16-5-3-2-4-14(16)10-11-19-18(23)20-15-8-6-13(7-9-15)12-17(21)22/h2-11H,12H2,1H3,(H,21,22)(H2,19,20,23)/b11-10+
InChIKeyCZBCUYKLQWLENL-ZHACJKMWSA-N
MW326.35 g/mol
LogP3.11
Rot. Bonds6

About 2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid

2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid (PubChem CID 108903974) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid
PubChem CID108903974
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid
SMILESCOc1ccccc1/C=C/NC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C18H18N2O4/c1-24-16-5-3-2-4-14(16)10-11-19-18(23)20-15-8-6-13(7-9-15)12-17(21)22/h2-11H,12H2,1H3,(H,21,22)(H2,19,20,23)/b11-10+
InChIKeyCZBCUYKLQWLENL-ZHACJKMWSA-N
XLogP3.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903814
1-(2-ethoxyphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904070
1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-naphthalen-1-ylurea
CID 108904029
1-(2-ethyl-6-methylphenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903908
3-[4-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]phenyl]propanoic acid
CID 10568068
1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-(3-nitrophenyl)urea
CID 108903915
2-[4-(phenylcarbamoylamino)phenyl]acetic acid
CID 564698
2-[4-[3-(2-methoxyphenyl)propanoylamino]phenyl]acetic acid
CID 17362890
2-[4-[[(E)-2-(3-fluorophenyl)ethenyl]carbamoylamino]phenyl]acetic acid
CID 108906208
2-[4-(2-methylprop-1-enylcarbamoylamino)phenyl]acetic acid
CID 108909914
1-(2,4-dichlorophenyl)-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108903849
1-[2-(2-fluorophenyl)ethyl]-3-[(E)-2-(2-methoxyphenyl)ethenyl]urea
CID 108904152

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid (CID 108903974) is 2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid is COc1ccccc1/C=C/NC(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid?
The InChIKey is CZBCUYKLQWLENL-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-24-16-5-3-2-4-14(16)10-11-19-18(23)20-15-8-6-13(7-9-15)12-17(21)22/h2-11H,12H2,1H3,(H,21,22)(H2,19,20,23)/b11-10+.
What are the key properties of 2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid?
2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid has a molecular weight of 326.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(E)-2-(2-methoxyphenyl)ethenyl]carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 108903974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).