2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid

C26H26N2O5 — CID 141226844

IUPAC2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid
SMILESCCCOCc1cc(C(O)C(=O)O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C26H26N2O5/c1-2-11-33-15-17-12-19(24(29)26(31)32)23-21(13-17)28(14-16-7-4-3-5-8-16)20-10-6-9-18(22(20)23)25(27)30/h3-10,12-13,24,29H,2,11,14-15H2,1H3,(H2,27,30)(H,31,32)
InChIKeyXAZOPWLDLGUINQ-UHFFFAOYSA-N
MW446.50 g/mol
LogP3.99
Rot. Bonds9

About 2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid

2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid (PubChem CID 141226844) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is 2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid
PubChem CID141226844
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid
SMILESCCCOCc1cc(C(O)C(=O)O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C26H26N2O5/c1-2-11-33-15-17-12-19(24(29)26(31)32)23-21(13-17)28(14-16-7-4-3-5-8-16)20-10-6-9-18(22(20)23)25(27)30/h3-10,12-13,24,29H,2,11,14-15H2,1H3,(H2,27,30)(H,31,32)
InChIKeyXAZOPWLDLGUINQ-UHFFFAOYSA-N
XLogP3.99
TPSA114.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[9-benzyl-5-carbamoyl-2-(4-chlorophenyl)carbazol-4-yl]-2-hydroxyacetic acid
CID 141226865
2-[5-carbamoyl-9-(pyridin-3-ylmethyl)carbazol-4-yl]-2-hydroxyacetic acid
CID 141226866
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
5-hydroxy-7-pentyl-9-[(3-phenoxyphenyl)methyl]carbazole-4-carboxamide
CID 22740496
2-[2-butyl-5-carbamoyl-9-[(4-phenoxyphenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 70240902
2-[9-[(3-benzylphenyl)methyl]-5-carbamoyl-2-propan-2-ylcarbazol-4-yl]oxyacetic acid
CID 21264312
9-[[4-(difluoromethoxy)phenyl]methyl]-7-propylcarbazole-4-carboxamide
CID 175233543
7-ethyl-9-[(3-fluorophenyl)methyl]-5-hydroxycarbazole-4-carboxamide
CID 22738776
9-[(4-benzoylphenyl)methyl]-7-butylcarbazole-4-carboxamide
CID 175235689
2-[5-carbamoyl-9-[[3-(difluoromethoxy)phenyl]methyl]-2-ethylcarbazol-4-yl]peroxyacetic acid
CID 151981594
2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate
CID 23593987

Frequently Asked Questions

What is the IUPAC name of 2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid?
The IUPAC name of 2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid (CID 141226844) is 2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid is CCCOCc1cc(C(O)C(=O)O)c2c3c(C(N)=O)cccc3n(Cc3ccccc3)c2c1.
What is the InChIKey of 2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid?
The InChIKey is XAZOPWLDLGUINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-2-11-33-15-17-12-19(24(29)26(31)32)23-21(13-17)28(14-16-7-4-3-5-8-16)20-10-6-9-18(22(20)23)25(27)30/h3-10,12-13,24,29H,2,11,14-15H2,1H3,(H2,27,30)(H,31,32).
What are the key properties of 2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid?
2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid has a molecular weight of 446.50 g/mol, XLogP of 3.99, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-benzyl-5-carbamoyl-2-(propoxymethyl)carbazol-4-yl]-2-hydroxyacetic acid is sourced from PubChem (CID 141226844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).