ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate

C24H22N2O4 — CID 10135735

IUPACethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
SMILESCCOC(=O)COc1cccc2c1c1c(C(N)=O)cccc1n2Cc1ccccc1
InChIInChI=1S/C24H22N2O4/c1-2-29-21(27)15-30-20-13-7-12-19-23(20)22-17(24(25)28)10-6-11-18(22)26(19)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H2,25,28)
InChIKeyCJIKOBLANPAVEE-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.88
Rot. Bonds7

About ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate

ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate (PubChem CID 10135735) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
PubChem CID10135735
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Nameethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate
SMILESCCOC(=O)COc1cccc2c1c1c(C(N)=O)cccc1n2Cc1ccccc1
InChIInChI=1S/C24H22N2O4/c1-2-29-21(27)15-30-20-13-7-12-19-23(20)22-17(24(25)28)10-6-11-18(22)26(19)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H2,25,28)
InChIKeyCJIKOBLANPAVEE-UHFFFAOYSA-N
XLogP3.88
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetyl]amino]acetic acid
CID 10137599
2-[5-carbamoyl-9-[(3-iodophenyl)methyl]carbazol-4-yl]oxyacetic acid
CID 10207176
sodium 2-[5-carbamoyl-9-[(3,5-dimethylphenyl)methyl]carbazol-4-yl]oxyacetate
CID 21304071
methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate
CID 86756280
2-(9-benzyl-5-methylcarbazol-4-yl)oxyacetic acid
CID 143459807
ethane;5-ethoxy-9-ethylcarbazole-4-carboxamide
CID 91519432
2-[5-carbamoyl-9-(3-phenylpropyl)carbazol-4-yl]oxyacetic acid
CID 22740410
methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 86756275
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
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

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate?
The IUPAC name of ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate (CID 10135735) is ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate?
The canonical SMILES for ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate is CCOC(=O)COc1cccc2c1c1c(C(N)=O)cccc1n2Cc1ccccc1.
What is the InChIKey of ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate?
The InChIKey is CJIKOBLANPAVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-2-29-21(27)15-30-20-13-7-12-19-23(20)22-17(24(25)28)10-6-11-18(22)26(19)14-16-8-4-3-5-9-16/h3-13H,2,14-15H2,1H3,(H2,25,28).
What are the key properties of ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate?
ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate has a molecular weight of 402.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(9-benzyl-5-carbamoylcarbazol-4-yl)oxyacetate is sourced from PubChem (CID 10135735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).