[5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate

C23H20N2O4 — CID 91121386

IUPAC[5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate
SMILESCc1ccccc1Cn1c2cccc(OC(=O)CO)c2c2c(C(N)=O)cccc21
InChIInChI=1S/C23H20N2O4/c1-14-6-2-3-7-15(14)12-25-17-9-4-8-16(23(24)28)21(17)22-18(25)10-5-11-19(22)29-20(27)13-26/h2-11,26H,12-13H2,1H3,(H2,24,28)
InChIKeyDKEJTJBSWURAMR-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.15
Rot. Bonds5

About [5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate

[5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate (PubChem CID 91121386) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate.

Molecular Properties

Compound Name[5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate
PubChem CID91121386
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate
SMILESCc1ccccc1Cn1c2cccc(OC(=O)CO)c2c2c(C(N)=O)cccc21
InChIInChI=1S/C23H20N2O4/c1-14-6-2-3-7-15(14)12-25-17-9-4-8-16(23(24)28)21(17)22-18(25)10-5-11-19(22)29-20(27)13-26/h2-11,26H,12-13H2,1H3,(H2,24,28)
InChIKeyDKEJTJBSWURAMR-UHFFFAOYSA-N
XLogP3.15
TPSA94.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-carbamoyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl] 2-hydroxyacetate
CID 90986809
[5-carbamoyl-9-[(2-phenylphenyl)methyl]carbazol-4-yl] ethaneperoxoate
CID 175098119
methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 86756275
7-ethyl-9-[(2-methylphenyl)methyl]carbazole-4-carboxamide
CID 174417581
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
2-[5-carbamoyl-2-methyl-9-[[2-(trifluoromethyl)phenyl]methyl]carbazol-4-yl]oxyacetic acid
CID 21264357
9-(naphthalen-1-ylmethyl)carbazole-4-carboxamide
CID 70088178
9-[(2-fluoro-3-methylphenyl)methyl]-7-methylcarbazole-4-carboxamide
CID 174400303
9-ethyl-5-methylcarbazole-4-carboxamide
CID 59934194
sodium 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304067
2-[5-carbamoyl-2-ethyl-9-[(2-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 21264313
9-[(2,4-dimethylphenyl)methyl]carbazole-4-carboxamide
CID 174423911

Frequently Asked Questions

What is the IUPAC name of [5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate?
The IUPAC name of [5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate (CID 91121386) is [5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate.
What is the SMILES notation for [5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate?
The canonical SMILES for [5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate is Cc1ccccc1Cn1c2cccc(OC(=O)CO)c2c2c(C(N)=O)cccc21.
What is the InChIKey of [5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate?
The InChIKey is DKEJTJBSWURAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-14-6-2-3-7-15(14)12-25-17-9-4-8-16(23(24)28)21(17)22-18(25)10-5-11-19(22)29-20(27)13-26/h2-11,26H,12-13H2,1H3,(H2,24,28).
What are the key properties of [5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate?
[5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate has a molecular weight of 388.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-carbamoyl-9-[(2-methylphenyl)methyl]carbazol-4-yl] 2-hydroxyacetate is sourced from PubChem (CID 91121386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).