2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid

C15H15NO5 — CID 154805734

IUPAC2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid
SMILESCOc1cc(CNC(=O)c2ccc(C)o2)ccc1C(=O)O
InChIInChI=1S/C15H15NO5/c1-9-3-6-12(21-9)14(17)16-8-10-4-5-11(15(18)19)13(7-10)20-2/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBKHNOGIMGVOPON-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.22
Rot. Bonds5

About 2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid

2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid (PubChem CID 154805734) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid.

Molecular Properties

Compound Name2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid
PubChem CID154805734
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid
SMILESCOc1cc(CNC(=O)c2ccc(C)o2)ccc1C(=O)O
InChIInChI=1S/C15H15NO5/c1-9-3-6-12(21-9)14(17)16-8-10-4-5-11(15(18)19)13(7-10)20-2/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyBKHNOGIMGVOPON-UHFFFAOYSA-N
XLogP2.22
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-methylfuran-2-carboxamide
CID 27865745
4-(acetamidomethyl)-2-methoxybenzoic acid
CID 131252000
2-ethyl-5-[(3-methoxy-4-methylphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120821415
2-methoxy-4-[(propan-2-ylamino)methyl]benzoic acid
CID 117220706
4-ethyl-2-methoxybenzoic acid
CID 18687349
5-[(3-ethoxy-4-methoxyphenyl)methylcarbamoyl]-2-ethylfuran-3-carboxylic acid
CID 120821790
4-[[[(1R,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 129414926
5-[[(2,6-dimethoxybenzoyl)amino]methyl]-2-methoxybenzoic acid
CID 45384674
4-[[[3-(benzenesulfonylmethyl)furan-2-carbonyl]amino]methyl]-2-methoxybenzoic acid
CID 75431889
4-[(cyclopentylamino)methyl]-2-methoxybenzoic acid
CID 117220016
2-ethyl-5-[(4-methoxyphenyl)methylcarbamoyl]furan-3-carboxylic acid
CID 120822184
4-bromo-2-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 115369253

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid?
The IUPAC name of 2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid (CID 154805734) is 2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid.
What is the SMILES notation for 2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid?
The canonical SMILES for 2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid is COc1cc(CNC(=O)c2ccc(C)o2)ccc1C(=O)O.
What is the InChIKey of 2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid?
The InChIKey is BKHNOGIMGVOPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-9-3-6-12(21-9)14(17)16-8-10-4-5-11(15(18)19)13(7-10)20-2/h3-7H,8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid?
2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid has a molecular weight of 289.29 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[[(5-methylfuran-2-carbonyl)amino]methyl]benzoic acid is sourced from PubChem (CID 154805734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).