2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid

C17H17NO5 — CID 70676765

IUPAC2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
SMILESCOc1cccc(CNC(=O)c2cccc(C(=O)O)c2OC)c1
InChIInChI=1S/C17H17NO5/c1-22-12-6-3-5-11(9-12)10-18-16(19)13-7-4-8-14(17(20)21)15(13)23-2/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPVOCPQIHCKMDIM-UHFFFAOYSA-N
MW315.33 g/mol
LogP2.33
Rot. Bonds6

About 2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid

2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid (PubChem CID 70676765) has the molecular formula C17H17NO5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
PubChem CID70676765
Molecular FormulaC17H17NO5
Molecular Weight315.33 g/mol
Exact Mass315.11
IUPAC Name2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid
SMILESCOc1cccc(CNC(=O)c2cccc(C(=O)O)c2OC)c1
InChIInChI=1S/C17H17NO5/c1-22-12-6-3-5-11(9-12)10-18-16(19)13-7-4-8-14(17(20)21)15(13)23-2/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyPVOCPQIHCKMDIM-UHFFFAOYSA-N
XLogP2.33
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid (CID 70676765) is 2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid is COc1cccc(CNC(=O)c2cccc(C(=O)O)c2OC)c1.
What is the InChIKey of 2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid?
The InChIKey is PVOCPQIHCKMDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO5/c1-22-12-6-3-5-11(9-12)10-18-16(19)13-7-4-8-14(17(20)21)15(13)23-2/h3-9H,10H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid?
2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid has a molecular weight of 315.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(3-methoxyphenyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 70676765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).