sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate

C24H21N2NaO4 — CID 21304071

IUPACsodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate
SMILESCc1cc(C)cc(Cn2c3cccc(OCC(=O)[O-])c3c3c(C(N)=O)cccc32)c1.[Na+]
InChIInChI=1S/C24H22N2O4.Na/c1-14-9-15(2)11-16(10-14)12-26-18-6-3-5-17(24(25)29)22(18)23-19(26)7-4-8-20(23)30-13-21(27)28;/h3-11H,12-13H2,1-2H3,(H2,25,29)(H,27,28);/q;+1/p-1
InChIKeyGJAWIYGVMPTMGB-UHFFFAOYSA-M
MW424.43 g/mol
LogP-0.31
Rot. Bonds6

About sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate

sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate (PubChem CID 21304071) has the molecular formula C24H21N2NaO4 and a molecular weight of 424.43 g/mol. Its IUPAC name is sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate.

Molecular Properties

Compound Namesodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate
PubChem CID21304071
Molecular FormulaC24H21N2NaO4
Molecular Weight424.43 g/mol
Exact Mass424.14
IUPAC Namesodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate
SMILESCc1cc(C)cc(Cn2c3cccc(OCC(=O)[O-])c3c3c(C(N)=O)cccc32)c1.[Na+]
InChIInChI=1S/C24H22N2O4.Na/c1-14-9-15(2)11-16(10-14)12-26-18-6-3-5-17(24(25)29)22(18)23-19(26)7-4-8-20(23)30-13-21(27)28;/h3-11H,12-13H2,1-2H3,(H2,25,29)(H,27,28);/q;+1/p-1
InChIKeyGJAWIYGVMPTMGB-UHFFFAOYSA-M
XLogP-0.31
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-[(3,5-dimethylphenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22739095
sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304067
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
CID 25034675
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599
9-[(3,5-dimethylphenyl)methyl]-7-propan-2-ylcarbazole-4-carboxamide
CID 174401035
methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate
CID 86756280
sodium 2-[2-methyl-3-oxamoyl-1-[(3-phenylphenyl)methyl]indol-4-yl]oxyacetate
CID 23689971
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
ethane;5-ethoxy-9-ethylcarbazole-4-carboxamide
CID 91519432
2-[5-carbamoyl-2-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264357

Frequently Asked Questions

What is the IUPAC name of sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate?
The IUPAC name of sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate (CID 21304071) is sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate.
What is the SMILES notation for sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate?
The canonical SMILES for sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate is Cc1cc(C)cc(Cn2c3cccc(OCC(=O)[O-])c3c3c(C(N)=O)cccc32)c1.[Na+].
What is the InChIKey of sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate?
The InChIKey is GJAWIYGVMPTMGB-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H22N2O4.Na/c1-14-9-15(2)11-16(10-14)12-26-18-6-3-5-17(24(25)29)22(18)23-19(26)7-4-8-20(23)30-13-21(27)28;/h3-11H,12-13H2,1-2H3,(H2,25,29)(H,27,28);/q;+1/p-1.
What are the key properties of sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate?
sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate has a molecular weight of 424.43 g/mol, XLogP of -0.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate is sourced from PubChem (CID 21304071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).