methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate

C23H24N2O3 — CID 101389392

IUPACmethyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c1c1c(C#N)cccc1n2CC1CCCCC1
InChIInChI=1S/C23H24N2O3/c1-27-21(26)15-28-20-12-6-11-19-23(20)22-17(13-24)9-5-10-18(22)25(19)14-16-7-3-2-4-8-16/h5-6,9-12,16H,2-4,7-8,14-15H2,1H3
InChIKeyPFEGVBVQZPQSAS-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.80
Rot. Bonds5

About methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate

methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate (PubChem CID 101389392) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
PubChem CID101389392
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Namemethyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
SMILESCOC(=O)COc1cccc2c1c1c(C#N)cccc1n2CC1CCCCC1
InChIInChI=1S/C23H24N2O3/c1-27-21(26)15-28-20-12-6-11-19-23(20)22-17(13-24)9-5-10-18(22)25(19)14-16-7-3-2-4-8-16/h5-6,9-12,16H,2-4,7-8,14-15H2,1H3
InChIKeyPFEGVBVQZPQSAS-UHFFFAOYSA-N
XLogP4.80
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

sodium 2-[5-carbamoyl-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate
CID 25034675
2-[5-carbamoyl-9-(cyclobutylmethyl)carbazol-4-yl]oxyacetic acid
CID 22741302
methyl 2-[[10-carbamoyl-5-[(4-cyanophenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetate
CID 91458482
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317909
methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91477634
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 113223270
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
methyl 2-[[10-carbamoyl-5-[(4-methoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetate
CID 90866602
1-(cyclohexylmethyl)-2-sulfanylidene-3H-benzimidazole-4-carbonitrile
CID 104718186
methyl 2-[5-carbamoyl-9-(pyridin-2-ylmethyl)carbazol-4-yl]oxyacetate
CID 86756280
methyl 2-[[10-carbamoyl-5-[(4-phenoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetate
CID 91029478
methyl 2-[5-carbamoyl-9-[(2,3-difluorophenyl)methyl]carbazol-4-yl]oxyacetate
CID 86756275

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate?
The IUPAC name of methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate (CID 101389392) is methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate.
What is the SMILES notation for methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate?
The canonical SMILES for methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate is COC(=O)COc1cccc2c1c1c(C#N)cccc1n2CC1CCCCC1.
What is the InChIKey of methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate?
The InChIKey is PFEGVBVQZPQSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-21(26)15-28-20-12-6-11-19-23(20)22-17(13-24)9-5-10-18(22)25(19)14-16-7-3-2-4-8-16/h5-6,9-12,16H,2-4,7-8,14-15H2,1H3.
What are the key properties of methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate?
methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate has a molecular weight of 376.46 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-cyano-9-(cyclohexylmethyl)carbazol-4-yl]oxyacetate is sourced from PubChem (CID 101389392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).