methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate

C29H34N2O4 — CID 91477634

IUPACmethyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
SMILESCOC(=O)COc1cccc2c1c1c(n2Cc2ccc(C3CCCCCC3)cc2)CCC1C(N)=O
InChIInChI=1S/C29H34N2O4/c1-34-26(32)18-35-25-10-6-9-23-28(25)27-22(29(30)33)15-16-24(27)31(23)17-19-11-13-21(14-12-19)20-7-4-2-3-5-8-20/h6,9-14,20,22H,2-5,7-8,15-18H2,1H3,(H2,30,33)
InChIKeyPNSOINTZDWUATC-UHFFFAOYSA-N
MW474.60 g/mol
LogP5.19
Rot. Bonds7

About methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate

methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate (PubChem CID 91477634) has the molecular formula C29H34N2O4 and a molecular weight of 474.60 g/mol. Its IUPAC name is methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
PubChem CID91477634
Molecular FormulaC29H34N2O4
Molecular Weight474.60 g/mol
Exact Mass474.25
IUPAC Namemethyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
SMILESCOC(=O)COc1cccc2c1c1c(n2Cc2ccc(C3CCCCCC3)cc2)CCC1C(N)=O
InChIInChI=1S/C29H34N2O4/c1-34-26(32)18-35-25-10-6-9-23-28(25)27-22(29(30)33)15-16-24(27)31(23)17-19-11-13-21(14-12-19)20-7-4-2-3-5-8-20/h6,9-14,20,22H,2-5,7-8,15-18H2,1H3,(H2,30,33)
InChIKeyPNSOINTZDWUATC-UHFFFAOYSA-N
XLogP5.19
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.60
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate with MolForge

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Related Compounds

methyl 2-[[1-carbamoyl-4-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91493114
methyl 2-[[10-carbamoyl-5-[(4-methoxyphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetate
CID 90866602
methyl 2-[[1-carbamoyl-4-[(3,5-dimethylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91059457
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-[[10-carbamoyl-5-[(4-cyanophenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetate
CID 91458482
methyl 2-[[1-carbamoyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91380616
methyl 2-[[1-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 10182116
2-[[10-carbamoyl-5-[(4-iodophenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetic acid
CID 10279540
2-[[10-carbamoyl-5-[(4-carbamoylphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetic acid
CID 10181415
acetyl-[2-[(5-benzyl-10-carbamoyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl)oxy]acetyl]oxy-diethylazanium
CID 91018935
2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate
CID 10227506
2-[[1-carbamoyl-4-[(3-fluorophenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetic acid
CID 10271234

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate?
The IUPAC name of methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate (CID 91477634) is methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate.
What is the SMILES notation for methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate?
The canonical SMILES for methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate is COC(=O)COc1cccc2c1c1c(n2Cc2ccc(C3CCCCCC3)cc2)CCC1C(N)=O.
What is the InChIKey of methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate?
The InChIKey is PNSOINTZDWUATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O4/c1-34-26(32)18-35-25-10-6-9-23-28(25)27-22(29(30)33)15-16-24(27)31(23)17-19-11-13-21(14-12-19)20-7-4-2-3-5-8-20/h6,9-14,20,22H,2-5,7-8,15-18H2,1H3,(H2,30,33).
What are the key properties of methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate?
methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate has a molecular weight of 474.60 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-carbamoyl-4-[(4-cycloheptylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate is sourced from PubChem (CID 91477634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).