2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid

C17H18N2O3 — CID 45268764

IUPAC2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid
SMILESCN(CCc1ccccc1)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C17H18N2O3/c1-19(12-11-13-7-3-2-4-8-13)17(22)18-15-10-6-5-9-14(15)16(20)21/h2-10H,11-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyUPRDGMXGRJTFNT-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.09
Rot. Bonds5

About 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid

2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid (PubChem CID 45268764) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid
PubChem CID45268764
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid
SMILESCN(CCc1ccccc1)C(=O)Nc1ccccc1C(=O)O
InChIInChI=1S/C17H18N2O3/c1-19(12-11-13-7-3-2-4-8-13)17(22)18-15-10-6-5-9-14(15)16(20)21/h2-10H,11-12H2,1H3,(H,18,22)(H,20,21)
InChIKeyUPRDGMXGRJTFNT-UHFFFAOYSA-N
XLogP3.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid (CID 45268764) is 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid is CN(CCc1ccccc1)C(=O)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid?
The InChIKey is UPRDGMXGRJTFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-19(12-11-13-7-3-2-4-8-13)17(22)18-15-10-6-5-9-14(15)16(20)21/h2-10H,11-12H2,1H3,(H,18,22)(H,20,21).
What are the key properties of 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid?
2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid has a molecular weight of 298.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 45268764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).