2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate

C26H23N2O4- — CID 23593987

IUPAC2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)[O-])c3c(cc1n2Cc1ccccc1)CCCC3
InChIInChI=1S/C26H24N2O4/c27-26(31)19-11-6-12-20-23(19)24-21(28(20)14-16-7-2-1-3-8-16)13-17-9-4-5-10-18(17)25(24)32-15-22(29)30/h1-3,6-8,11-13H,4-5,9-10,14-15H2,(H2,27,31)(H,29,30)/p-1
InChIKeyLKFRVDCSBIQHAC-UHFFFAOYSA-M
MW427.48 g/mol
LogP2.95
Rot. Bonds6

About 2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate

2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate (PubChem CID 23593987) has the molecular formula C26H23N2O4- and a molecular weight of 427.48 g/mol. Its IUPAC name is 2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate.

Molecular Properties

Compound Name2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate
PubChem CID23593987
Molecular FormulaC26H23N2O4-
Molecular Weight427.48 g/mol
Exact Mass427.17
IUPAC Name2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate
SMILESNC(=O)c1cccc2c1c1c(OCC(=O)[O-])c3c(cc1n2Cc1ccccc1)CCCC3
InChIInChI=1S/C26H24N2O4/c27-26(31)19-11-6-12-20-23(19)24-21(28(20)14-16-7-2-1-3-8-16)13-17-9-4-5-10-18(17)25(24)32-15-22(29)30/h1-3,6-8,11-13H,4-5,9-10,14-15H2,(H2,27,31)(H,29,30)/p-1
InChIKeyLKFRVDCSBIQHAC-UHFFFAOYSA-M
XLogP2.95
TPSA97.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304071
methyl 2-[[7-(3-amino-3-oxoprop-1-en-2-yl)-11-benzyl-1,2,3,4-tetrahydrobenzo[a]carbazol-6-yl]oxy]acetate
CID 20769050
9-benzyl-5-hydroxy-7-methylcarbazole-4-carboxamide
CID 22739371
2-[5-carbamoyl-9-[(3-carbamoylphenyl)methyl]-2-phenylcarbazol-4-yl]oxyacetic acid
CID 70241092
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
CID 10135735
9-[(3-chloro-4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174414833
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
9-[(4-methylphenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174424042
9-[(4-chlorophenyl)methyl]-7-phenylcarbazole-4-carboxamide
CID 174400985
2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599
2-(9-benzyl-5-carbamoyl-2-thiophen-2-ylcarbazol-4-yl)oxyacetic acid
CID 22337722
9-[(4-benzoylphenyl)methyl]-7-(hydroxymethyl)carbazole-4-carboxamide
CID 174417858

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate?
The IUPAC name of 2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate (CID 23593987) is 2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate.
What is the SMILES notation for 2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate?
The canonical SMILES for 2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate is NC(=O)c1cccc2c1c1c(OCC(=O)[O-])c3c(cc1n2Cc1ccccc1)CCCC3.
What is the InChIKey of 2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate?
The InChIKey is LKFRVDCSBIQHAC-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H24N2O4/c27-26(31)19-11-6-12-20-23(19)24-21(28(20)14-16-7-2-1-3-8-16)13-17-9-4-5-10-18(17)25(24)32-15-22(29)30/h1-3,6-8,11-13H,4-5,9-10,14-15H2,(H2,27,31)(H,29,30)/p-1.
What are the key properties of 2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate?
2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate has a molecular weight of 427.48 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-1-carbamoyl-7,8,9,10-tetrahydrobenzo[b]carbazol-11-yl)oxy]acetate is sourced from PubChem (CID 23593987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).