2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid

C18H20N2O3 — CID 6464879

IUPAC2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid
SMILESCC(C)c1ccc(NC(=O)Nc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)14-5-9-16(10-6-14)20-18(23)19-15-7-3-13(4-8-15)11-17(21)22/h3-10,12H,11H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyWDOJAOHKHBJSJN-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.08
Rot. Bonds5

About 2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid

2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid (PubChem CID 6464879) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid
PubChem CID6464879
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid
SMILESCC(C)c1ccc(NC(=O)Nc2ccc(CC(=O)O)cc2)cc1
InChIInChI=1S/C18H20N2O3/c1-12(2)14-5-9-16(10-6-14)20-18(23)19-15-7-3-13(4-8-15)11-17(21)22/h3-10,12H,11H2,1-2H3,(H,21,22)(H2,19,20,23)
InChIKeyWDOJAOHKHBJSJN-UHFFFAOYSA-N
XLogP4.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid (CID 6464879) is 2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid is CC(C)c1ccc(NC(=O)Nc2ccc(CC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid?
The InChIKey is WDOJAOHKHBJSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12(2)14-5-9-16(10-6-14)20-18(23)19-15-7-3-13(4-8-15)11-17(21)22/h3-10,12H,11H2,1-2H3,(H,21,22)(H2,19,20,23).
What are the key properties of 2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid?
2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid has a molecular weight of 312.37 g/mol, XLogP of 4.08, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-propan-2-ylphenyl)carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 6464879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).