2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid

C23H21NO5 — CID 20988651

IUPAC2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(OCc2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H21NO5/c1-15-7-12-21(28-2)20(13-15)24-22(25)16-8-10-18(11-9-16)29-14-17-5-3-4-6-19(17)23(26)27/h3-13H,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHPSOLYAAOMYFKR-UHFFFAOYSA-N
MW391.42 g/mol
LogP4.53
Rot. Bonds7

About 2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid

2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid (PubChem CID 20988651) has the molecular formula C23H21NO5 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid.

Molecular Properties

Compound Name2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid
PubChem CID20988651
Molecular FormulaC23H21NO5
Molecular Weight391.42 g/mol
Exact Mass391.14
IUPAC Name2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid
SMILESCOc1ccc(C)cc1NC(=O)c1ccc(OCc2ccccc2C(=O)O)cc1
InChIInChI=1S/C23H21NO5/c1-15-7-12-21(28-2)20(13-15)24-22(25)16-8-10-18(11-9-16)29-14-17-5-3-4-6-19(17)23(26)27/h3-13H,14H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyHPSOLYAAOMYFKR-UHFFFAOYSA-N
XLogP4.53
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629
2-[[4-[(2-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 20986440
1-N-benzyl-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109046739
1-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109047212
2-[[4-[(4-chlorophenyl)carbamoyl]phenoxy]methyl]benzoic acid
CID 22684313
N-(2-methoxy-5-methylphenyl)-4-(phenylsulfanylmethyl)benzamide
CID 28771995
N-(2-methoxy-5-methylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 46547571
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
1-N-(2-methoxyethyl)-4-N-(2-methoxy-5-methylphenyl)benzene-1,4-dicarboxamide
CID 109045188
4-(ethylamino)-N-(2-methoxy-5-methylphenyl)benzamide
CID 62171726
N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]benzamide
CID 9215526
2-[2-[(2,5-dimethoxyphenyl)carbamoyl]phenyl]benzoic acid
CID 1348361

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid?
The IUPAC name of 2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid (CID 20988651) is 2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid.
What is the SMILES notation for 2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid?
The canonical SMILES for 2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid is COc1ccc(C)cc1NC(=O)c1ccc(OCc2ccccc2C(=O)O)cc1.
What is the InChIKey of 2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid?
The InChIKey is HPSOLYAAOMYFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO5/c1-15-7-12-21(28-2)20(13-15)24-22(25)16-8-10-18(11-9-16)29-14-17-5-3-4-6-19(17)23(26)27/h3-13H,14H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid?
2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid has a molecular weight of 391.42 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]phenoxy]methyl]benzoic acid is sourced from PubChem (CID 20988651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).