3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid

C16H16N2O4 — CID 2955376

IUPAC3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid
SMILESCOc1ccc(C)cc1NC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H16N2O4/c1-10-6-7-14(22-2)13(8-10)18-16(21)17-12-5-3-4-11(9-12)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyQOGBLAMLNVFIGP-UHFFFAOYSA-N
MW300.31 g/mol
LogP3.35
Rot. Bonds4

About 3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid

3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid (PubChem CID 2955376) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid
PubChem CID2955376
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid
SMILESCOc1ccc(C)cc1NC(=O)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C16H16N2O4/c1-10-6-7-14(22-2)13(8-10)18-16(21)17-12-5-3-4-11(9-12)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21)
InChIKeyQOGBLAMLNVFIGP-UHFFFAOYSA-N
XLogP3.35
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid?
The IUPAC name of 3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid (CID 2955376) is 3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid.
What is the SMILES notation for 3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid?
The canonical SMILES for 3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid is COc1ccc(C)cc1NC(=O)Nc1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid?
The InChIKey is QOGBLAMLNVFIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-10-6-7-14(22-2)13(8-10)18-16(21)17-12-5-3-4-11(9-12)15(19)20/h3-9H,1-2H3,(H,19,20)(H2,17,18,21).
What are the key properties of 3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid?
3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid has a molecular weight of 300.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-5-methylphenyl)carbamoylamino]benzoic acid is sourced from PubChem (CID 2955376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).