methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate

C25H28N2O3 — CID 19744362

IUPACmethyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate
SMILESCOC(=O)c1ccc(C(C)n2ccc3ccc(NC(=O)CC4CCCC4)cc32)cc1
InChIInChI=1S/C25H28N2O3/c1-17(19-7-9-21(10-8-19)25(29)30-2)27-14-13-20-11-12-22(16-23(20)27)26-24(28)15-18-5-3-4-6-18/h7-14,16-18H,3-6,15H2,1-2H3,(H,26,28)
InChIKeyOVDNJQUOOQFFEK-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.56
Rot. Bonds6

About methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate

methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate (PubChem CID 19744362) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate
PubChem CID19744362
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Namemethyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate
SMILESCOC(=O)c1ccc(C(C)n2ccc3ccc(NC(=O)CC4CCCC4)cc32)cc1
InChIInChI=1S/C25H28N2O3/c1-17(19-7-9-21(10-8-19)25(29)30-2)27-14-13-20-11-12-22(16-23(20)27)26-24(28)15-18-5-3-4-6-18/h7-14,16-18H,3-6,15H2,1-2H3,(H,26,28)
InChIKeyOVDNJQUOOQFFEK-UHFFFAOYSA-N
XLogP5.56
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate with MolForge

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Related Compounds

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methyl 3-[(2-cyclobutylacetyl)amino]benzoate
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2-cyclopentyl-N-(3,4-dimethoxyphenyl)acetamide
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methyl 2-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate
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methyl 2-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1-oxoisoquinoline-7-carboxylate
CID 97209451
2-cyclopentyl-N-(4-iodophenyl)acetamide
CID 2677478
2-cyclopentyl-N-[4-(2-methylpropoxy)phenyl]acetamide
CID 54786144
4-[[6-[(2-cyclopentylacetyl)amino]indol-1-yl]methyl]-N-(2-hydroxy-3-methylphenyl)sulfonyl-3-methoxybenzamide
CID 70352931
2-cyclohexyl-N-[3-[(propan-2-ylamino)methyl]phenyl]acetamide
CID 106910808
methyl 4-[[5-[(2-cyclopentylacetyl)amino]-1H-indol-3-yl]methyl]-3-methoxybenzoate
CID 23365836
N-(4-bromo-3-methylphenyl)-2-cyclopentylacetamide
CID 2679466

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate?
The IUPAC name of methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate (CID 19744362) is methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate.
What is the SMILES notation for methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate?
The canonical SMILES for methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate is COC(=O)c1ccc(C(C)n2ccc3ccc(NC(=O)CC4CCCC4)cc32)cc1.
What is the InChIKey of methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate?
The InChIKey is OVDNJQUOOQFFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17(19-7-9-21(10-8-19)25(29)30-2)27-14-13-20-11-12-22(16-23(20)27)26-24(28)15-18-5-3-4-6-18/h7-14,16-18H,3-6,15H2,1-2H3,(H,26,28).
What are the key properties of methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate?
methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate has a molecular weight of 404.51 g/mol, XLogP of 5.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[6-[(2-cyclopentylacetyl)amino]indol-1-yl]ethyl]benzoate is sourced from PubChem (CID 19744362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).