2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid

C33H26N2O6 — CID 67567398

IUPAC2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cc(-c3ccco3)cc1n2Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C33H26N2O6/c34-33(38)25-8-4-9-26-31(25)32-27(16-23(28-10-5-15-39-28)17-29(32)41-20-30(36)37)35(26)18-21-11-13-24(14-12-21)40-19-22-6-2-1-3-7-22/h1-17H,18-20H2,(H2,34,38)(H,36,37)
InChIKeyKQHQQXTXQGJDGU-UHFFFAOYSA-N
MW546.58 g/mol
LogP6.24
Rot. Bonds10

About 2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid

2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid (PubChem CID 67567398) has the molecular formula C33H26N2O6 and a molecular weight of 546.58 g/mol. Its IUPAC name is 2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
PubChem CID67567398
Molecular FormulaC33H26N2O6
Molecular Weight546.58 g/mol
Exact Mass546.18
IUPAC Name2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)O)cc(-c3ccco3)cc1n2Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C33H26N2O6/c34-33(38)25-8-4-9-26-31(25)32-27(16-23(28-10-5-15-39-28)17-29(32)41-20-30(36)37)35(26)18-21-11-13-24(14-12-21)40-19-22-6-2-1-3-7-22/h1-17H,18-20H2,(H2,34,38)(H,36,37)
InChIKeyKQHQQXTXQGJDGU-UHFFFAOYSA-N
XLogP6.24
TPSA116.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.58
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[9-[(2-acetamidophenyl)methyl]-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]oxyacetic acid
CID 67567598
2-[9-benzyl-5-carbamoyl-2-(furan-2-yl)carbazol-4-yl]-2-oxoacetic acid
CID 54308159
2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid
CID 70241092
2-(9-benzyl-5-carbamoyl-2-thiophen-2-ylcarbazol-4-yl)oxyacetic acid
CID 22337722
2-[2-butyl-5-carbamoyl-9-[(4-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 70240902
2-[5-carbamoyl-2-(4-chlorophenyl)-9-[[3-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264326
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
2-[9-[(3-benzylphenyl)methyl]-5-carbamoyl-2-propan-2-ylcarbazol-4-yl]oxyacetic acid
CID 21264312
9-[(4-carbamoylphenyl)methyl]-7-(furan-2-yl)carbazole-4-carboxamide
CID 174414282
2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599
2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
CID 22740410
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735

Frequently Asked Questions

What is the IUPAC name of 2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid?
The IUPAC name of 2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid (CID 67567398) is 2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid.
What is the SMILES notation for 2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid?
The canonical SMILES for 2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid is NC(=O)c1cccc2c1c1c(OCC(=O)O)cc(-c3ccco3)cc1n2Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid?
The InChIKey is KQHQQXTXQGJDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2O6/c34-33(38)25-8-4-9-26-31(25)32-27(16-23(28-10-5-15-39-28)17-29(32)41-20-30(36)37)35(26)18-21-11-13-24(14-12-21)40-19-22-6-2-1-3-7-22/h1-17H,18-20H2,(H2,34,38)(H,36,37).
What are the key properties of 2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid?
2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid has a molecular weight of 546.58 g/mol, XLogP of 6.24, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-carbamoyl-2-(furan-2-yl)-9-[(4-phenylmethoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid is sourced from PubChem (CID 67567398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).