2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid

C26H27NO5 — CID 129454644

IUPAC2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2ccccc2OC(C)C)c1
InChIInChI=1S/C26H27NO5/c1-18(2)32-23-13-6-4-9-21(23)16-27(17-25(28)29)26(30)20-11-8-10-19(15-20)22-12-5-7-14-24(22)31-3/h4-15,18H,16-17H2,1-3H3,(H,28,29)
InChIKeyFOAHMJPPXUYDFQ-UHFFFAOYSA-N
MW433.50 g/mol
LogP4.88
Rot. Bonds9

About 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid

2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid (PubChem CID 129454644) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid
PubChem CID129454644
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid
SMILESCOc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2ccccc2OC(C)C)c1
InChIInChI=1S/C26H27NO5/c1-18(2)32-23-13-6-4-9-21(23)16-27(17-25(28)29)26(30)20-11-8-10-19(15-20)22-12-5-7-14-24(22)31-3/h4-15,18H,16-17H2,1-3H3,(H,28,29)
InChIKeyFOAHMJPPXUYDFQ-UHFFFAOYSA-N
XLogP4.88
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[3-(2-methoxyphenyl)benzoyl]-[(4-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 129455176
2-[(2-chlorophenyl)methyl-[3-(2-methoxyphenyl)benzoyl]amino]acetic acid
CID 110165690
1-[3-(2-methoxyphenyl)phenyl]-2-methylpropan-1-one
CID 82120149
2-[(1-propan-2-ylbenzimidazole-5-carbonyl)-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid
CID 110165527
2-[acetyl-[(2-methoxyphenyl)methyl]amino]acetic acid
CID 82044282
3-(2-methoxyphenyl)benzoic acid
CID 2759547
2-[(2-methoxyphenyl)methyl-[(2S)-2-methyl-2-[(4-propan-2-ylphenyl)methyl]-3H-1-benzofuran-5-carbonyl]amino]acetic acid
CID 124960458
3-(2-methoxyphenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 131912029
3-[methyl-[(2-propan-2-yloxyphenyl)methyl]amino]propanoic acid
CID 119911747
2-[cyclopropyl-[3-(2-ethoxyphenyl)benzoyl]amino]acetic acid
CID 120517664
2-[acetyl-[(2-methoxyphenyl)methyl]amino]-N-(2-propan-2-yloxyphenyl)acetamide
CID 113162972
3-(dimethylamino)-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 47078427

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid?
The IUPAC name of 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid (CID 129454644) is 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid is COc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2ccccc2OC(C)C)c1.
What is the InChIKey of 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid?
The InChIKey is FOAHMJPPXUYDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-18(2)32-23-13-6-4-9-21(23)16-27(17-25(28)29)26(30)20-11-8-10-19(15-20)22-12-5-7-14-24(22)31-3/h4-15,18H,16-17H2,1-3H3,(H,28,29).
What are the key properties of 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid?
2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid has a molecular weight of 433.50 g/mol, XLogP of 4.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methoxyphenyl)benzoyl]-[(2-propan-2-yloxyphenyl)methyl]amino]acetic acid is sourced from PubChem (CID 129454644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).