2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid

C16H16N2O3 — CID 57048541

IUPAC2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid
SMILESCc1ccccc1N(C(N)=O)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-11-7-5-6-10-13(11)18(16(17)21)14(15(19)20)12-8-3-2-4-9-12/h2-10,14H,1H3,(H2,17,21)(H,19,20)
InChIKeyKOHDSCPMNZYCQJ-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.71
Rot. Bonds4

About 2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid

2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid (PubChem CID 57048541) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid
PubChem CID57048541
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid
SMILESCc1ccccc1N(C(N)=O)C(C(=O)O)c1ccccc1
InChIInChI=1S/C16H16N2O3/c1-11-7-5-6-10-13(11)18(16(17)21)14(15(19)20)12-8-3-2-4-9-12/h2-10,14H,1H3,(H2,17,21)(H,19,20)
InChIKeyKOHDSCPMNZYCQJ-UHFFFAOYSA-N
XLogP2.71
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid?
The IUPAC name of 2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid (CID 57048541) is 2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid.
What is the SMILES notation for 2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid?
The canonical SMILES for 2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid is Cc1ccccc1N(C(N)=O)C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid?
The InChIKey is KOHDSCPMNZYCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-7-5-6-10-13(11)18(16(17)21)14(15(19)20)12-8-3-2-4-9-12/h2-10,14H,1H3,(H2,17,21)(H,19,20).
What are the key properties of 2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid?
2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid has a molecular weight of 284.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-carbamoyl-2-methylanilino)-2-phenylacetic acid is sourced from PubChem (CID 57048541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).