ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate

C32H37N3O5 — CID 66819628

IUPACethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)n1ccc2cc(OCCc3cccc(NCC(=O)OC(C)(C)C)n3)ccc21
InChIInChI=1S/C32H37N3O5/c1-5-38-30(36)21-28(23-10-7-6-8-11-23)35-18-16-24-20-26(14-15-27(24)35)39-19-17-25-12-9-13-29(34-25)33-22-31(37)40-32(2,3)4/h6-16,18,20,28H,5,17,19,21-22H2,1-4H3,(H,33,34)
InChIKeyDQUHSNXHWLWBLU-UHFFFAOYSA-N
MW543.66 g/mol
LogP5.95
Rot. Bonds12

About ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate

ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate (PubChem CID 66819628) has the molecular formula C32H37N3O5 and a molecular weight of 543.66 g/mol. Its IUPAC name is ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate
PubChem CID66819628
Molecular FormulaC32H37N3O5
Molecular Weight543.66 g/mol
Exact Mass543.27
IUPAC Nameethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate
SMILESCCOC(=O)CC(c1ccccc1)n1ccc2cc(OCCc3cccc(NCC(=O)OC(C)(C)C)n3)ccc21
InChIInChI=1S/C32H37N3O5/c1-5-38-30(36)21-28(23-10-7-6-8-11-23)35-18-16-24-20-26(14-15-27(24)35)39-19-17-25-12-9-13-29(34-25)33-22-31(37)40-32(2,3)4/h6-16,18,20,28H,5,17,19,21-22H2,1-4H3,(H,33,34)
InChIKeyDQUHSNXHWLWBLU-UHFFFAOYSA-N
XLogP5.95
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.66
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate with MolForge

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Related Compounds

ethyl 3-pyridin-4-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate
CID 67426707
ethyl 3-(3-methoxyphenyl)-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoate
CID 91538242
3-[5-[2-[6-(methylamino)-2-pyridinyl]ethoxy]indol-1-yl]octanoic acid
CID 142158782
3-[5-(2-aminooxyethoxy)indol-1-yl]-3-phenylpropanoic acid
CID 22570284
3-naphthalen-2-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid
CID 90743454
ethyl 3-[6-[2-[6-(methylamino)-2-pyridinyl]ethoxy]-1-benzofuran-3-yl]propanoate
CID 11326106
3-(4-cyanophenyl)-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid
CID 91502625
3-quinolin-3-yl-3-[5-[2-(5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl)ethoxy]indol-1-yl]propanoic acid
CID 90744243
ethyl 4-(5-ethoxyindol-1-yl)-3-oxobutanoate
CID 80649255
ethyl 4-(5-ethoxyindol-1-yl)-3-hydroxybutanoate
CID 82771296
ethyl 2-(5-phenylmethoxyindol-1-yl)hexanoate
CID 66821164
ethyl 2-(2-naphthalen-2-yloxyethoxycarbonylamino)acetate
CID 4158444

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate?
The IUPAC name of ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate (CID 66819628) is ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate.
What is the SMILES notation for ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate?
The canonical SMILES for ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate is CCOC(=O)CC(c1ccccc1)n1ccc2cc(OCCc3cccc(NCC(=O)OC(C)(C)C)n3)ccc21.
What is the InChIKey of ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate?
The InChIKey is DQUHSNXHWLWBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O5/c1-5-38-30(36)21-28(23-10-7-6-8-11-23)35-18-16-24-20-26(14-15-27(24)35)39-19-17-25-12-9-13-29(34-25)33-22-31(37)40-32(2,3)4/h6-16,18,20,28H,5,17,19,21-22H2,1-4H3,(H,33,34).
What are the key properties of ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate?
ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate has a molecular weight of 543.66 g/mol, XLogP of 5.95, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[5-[2-[6-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]-2-pyridinyl]ethoxy]indol-1-yl]-3-phenylpropanoate is sourced from PubChem (CID 66819628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).