2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid

C25H24N2O7 — CID 22291006

IUPAC2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(OCC(=O)O)c3)ccc2C)cc1OC
InChIInChI=1S/C25H24N2O7/c1-15-7-9-18(26-24(30)16-5-4-6-19(11-16)34-14-23(28)29)13-20(15)27-25(31)17-8-10-21(32-2)22(12-17)33-3/h4-13H,14H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyZHDRBGXXXPHZFF-UHFFFAOYSA-N
MW464.47 g/mol
LogP3.98
Rot. Bonds9

About 2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid

2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid (PubChem CID 22291006) has the molecular formula C25H24N2O7 and a molecular weight of 464.47 g/mol. Its IUPAC name is 2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid
PubChem CID22291006
Molecular FormulaC25H24N2O7
Molecular Weight464.47 g/mol
Exact Mass464.16
IUPAC Name2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid
SMILESCOc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(OCC(=O)O)c3)ccc2C)cc1OC
InChIInChI=1S/C25H24N2O7/c1-15-7-9-18(26-24(30)16-5-4-6-19(11-16)34-14-23(28)29)13-20(15)27-25(31)17-8-10-21(32-2)22(12-17)33-3/h4-13H,14H2,1-3H3,(H,26,30)(H,27,31)(H,28,29)
InChIKeyZHDRBGXXXPHZFF-UHFFFAOYSA-N
XLogP3.98
TPSA123.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid with MolForge

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Related Compounds

N-(5-acetamido-2-methylphenyl)-3-ethoxybenzamide
CID 108788826
N-[5-[(4-chloro-2-methylbenzoyl)amino]-2-methylphenyl]-3,4-dimethoxybenzamide
CID 54539819
N-(3-acetamido-4-methoxyphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55775627
3-bromo-N-[3-[(3-bromo-4-methoxybenzoyl)amino]-4-methylphenyl]-4-methoxybenzamide
CID 4941361
3-ethoxy-N-[4-methyl-3-(propanoylamino)phenyl]benzamide
CID 46761087
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
N-(4,5-dimethoxy-2-methylphenyl)-3-(2-methylpropoxy)benzamide
CID 7589542
2-[4-[(4,5-dimethoxy-2-methylphenyl)carbamoyl]-2-ethoxyphenoxy]acetic acid
CID 119179401
3-[[3-(2-amino-2-oxoethoxy)benzoyl]amino]-4-methyl-N-propylbenzamide
CID 131913633
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid (CID 22291006) is 2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid is COc1ccc(C(=O)Nc2cc(NC(=O)c3cccc(OCC(=O)O)c3)ccc2C)cc1OC.
What is the InChIKey of 2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is ZHDRBGXXXPHZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O7/c1-15-7-9-18(26-24(30)16-5-4-6-19(11-16)34-14-23(28)29)13-20(15)27-25(31)17-8-10-21(32-2)22(12-17)33-3/h4-13H,14H2,1-3H3,(H,26,30)(H,27,31)(H,28,29).
What are the key properties of 2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid?
2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 464.47 g/mol, XLogP of 3.98, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[3-[(3,4-dimethoxybenzoyl)amino]-4-methylphenyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 22291006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).