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

C27H31N3O5 — CID 10227506

IUPAC2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate
SMILESNC(=O)C1CCc2c1c1c(OCC(=O)OCCN3CCOCC3)cccc1n2Cc1ccccc1
InChIInChI=1S/C27H31N3O5/c28-27(32)20-9-10-22-25(20)26-21(30(22)17-19-5-2-1-3-6-19)7-4-8-23(26)35-18-24(31)34-16-13-29-11-14-33-15-12-29/h1-8,20H,9-18H2,(H2,28,32)
InChIKeySVOVYLMTEMMLND-UHFFFAOYSA-N
MW477.56 g/mol
LogP2.46
Rot. Bonds9

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

2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate (PubChem CID 10227506) has the molecular formula C27H31N3O5 and a molecular weight of 477.56 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate
PubChem CID10227506
Molecular FormulaC27H31N3O5
Molecular Weight477.56 g/mol
Exact Mass477.23
IUPAC Name2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate
SMILESNC(=O)C1CCc2c1c1c(OCC(=O)OCCN3CCOCC3)cccc1n2Cc1ccccc1
InChIInChI=1S/C27H31N3O5/c28-27(32)20-9-10-22-25(20)26-21(30(22)17-19-5-2-1-3-6-19)7-4-8-23(26)35-18-24(31)34-16-13-29-11-14-33-15-12-29/h1-8,20H,9-18H2,(H2,28,32)
InChIKeySVOVYLMTEMMLND-UHFFFAOYSA-N
XLogP2.46
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

methyl 2-[[1-carbamoyl-4-[(4-phenylphenyl)methyl]-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91493114
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-[1-[(3-chlorophenyl)methyl]-2-ethyl-3-oxamoylindol-4-yl]oxyacetate
CID 91259942
methyl 2-[[1-carbamoyl-4-(naphthalen-1-ylmethyl)-2,3-dihydro-1H-cyclopenta[b]indol-8-yl]oxy]acetate
CID 91380616
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
2-[[10-carbamoyl-5-[(3-phenylphenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetic acid
CID 10226991
2-morpholin-4-ylethyl 2-(2-methoxyphenoxy)acetate
CID 23620376
methyl 2-[[10-carbamoyl-5-[(4-cyanophenyl)methyl]-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-1-yl]oxy]acetate
CID 91458482
2-[[(1R)-5-benzyl-1-carbamoyl-3,4-dihydro-1H-thiopyrano[4,3-b]indol-9-yl]oxy]acetic acid
CID 87162813
sodium 2-[(9-benzyl-5-carbamoyl-2-methoxy-5,6,7,8-tetrahydrocarbazol-4-yl)oxy]acetate
CID 23676539
2-morpholin-4-ylethyl 2-phenylacetate
CID 797103

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate?
The IUPAC name of 2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate (CID 10227506) is 2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate is NC(=O)C1CCc2c1c1c(OCC(=O)OCCN3CCOCC3)cccc1n2Cc1ccccc1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate?
The InChIKey is SVOVYLMTEMMLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O5/c28-27(32)20-9-10-22-25(20)26-21(30(22)17-19-5-2-1-3-6-19)7-4-8-23(26)35-18-24(31)34-16-13-29-11-14-33-15-12-29/h1-8,20H,9-18H2,(H2,28,32).
What are the key properties of 2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate?
2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate has a molecular weight of 477.56 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-[(4-benzyl-1-carbamoyl-2,3-dihydro-1H-cyclopenta[b]indol-8-yl)oxy]acetate is sourced from PubChem (CID 10227506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).