2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid

C26H27NO5 — CID 139610039

IUPAC2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid
SMILESCC(C)Cc1ccc(COc2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)cc1
InChIInChI=1S/C26H27NO5/c1-18(2)14-19-6-8-20(9-7-19)16-31-23-12-10-22(11-13-23)27-26(30)21-4-3-5-24(15-21)32-17-25(28)29/h3-13,15,18H,14,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyAZXAGXPRGBZNOD-UHFFFAOYSA-N
MW433.50 g/mol
LogP5.18
Rot. Bonds10

About 2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid

2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid (PubChem CID 139610039) has the molecular formula C26H27NO5 and a molecular weight of 433.50 g/mol. Its IUPAC name is 2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid
PubChem CID139610039
Molecular FormulaC26H27NO5
Molecular Weight433.50 g/mol
Exact Mass433.19
IUPAC Name2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid
SMILESCC(C)Cc1ccc(COc2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)cc1
InChIInChI=1S/C26H27NO5/c1-18(2)14-19-6-8-20(9-7-19)16-31-23-12-10-22(11-13-23)27-26(30)21-4-3-5-24(15-21)32-17-25(28)29/h3-13,15,18H,14,16-17H2,1-2H3,(H,27,30)(H,28,29)
InChIKeyAZXAGXPRGBZNOD-UHFFFAOYSA-N
XLogP5.18
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.50
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
N-[4-[(2R)-butan-2-yl]phenyl]-3-phenylmethoxybenzamide
CID 8778703
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
2-[[2-[4-[[3-(2-methylpropoxy)benzoyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224311
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
2-(4-benzamidophenoxy)acetic acid
CID 3830392
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
3-(2-methylpropoxy)-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17140363
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid (CID 139610039) is 2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid is CC(C)Cc1ccc(COc2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)cc1.
What is the InChIKey of 2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is AZXAGXPRGBZNOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO5/c1-18(2)14-19-6-8-20(9-7-19)16-31-23-12-10-22(11-13-23)27-26(30)21-4-3-5-24(15-21)32-17-25(28)29/h3-13,15,18H,14,16-17H2,1-2H3,(H,27,30)(H,28,29).
What are the key properties of 2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid?
2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 433.50 g/mol, XLogP of 5.18, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 139610039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).