methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate

C27H32N2O6 — CID 67735074

IUPACmethyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate
SMILESCOCCC(c1ccc(C(=O)OC)cc1OC)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12
InChIInChI=1S/C27H32N2O6/c1-32-13-12-20(21-10-8-17(26(30)34-3)14-25(21)33-2)23-16-28-24-11-9-18(15-22(23)24)29-27(31)35-19-6-4-5-7-19/h8-11,14-16,19-20,28H,4-7,12-13H2,1-3H3,(H,29,31)
InChIKeyFMZUIWRDZNHIHN-UHFFFAOYSA-N
MW480.56 g/mol
LogP5.62
Rot. Bonds9

About methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate

methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate (PubChem CID 67735074) has the molecular formula C27H32N2O6 and a molecular weight of 480.56 g/mol. Its IUPAC name is methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate
PubChem CID67735074
Molecular FormulaC27H32N2O6
Molecular Weight480.56 g/mol
Exact Mass480.23
IUPAC Namemethyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate
SMILESCOCCC(c1ccc(C(=O)OC)cc1OC)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12
InChIInChI=1S/C27H32N2O6/c1-32-13-12-20(21-10-8-17(26(30)34-3)14-25(21)33-2)23-16-28-24-11-9-18(15-22(23)24)29-27(31)35-19-6-4-5-7-19/h8-11,14-16,19-20,28H,4-7,12-13H2,1-3H3,(H,29,31)
InChIKeyFMZUIWRDZNHIHN-UHFFFAOYSA-N
XLogP5.62
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.56
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate?
The IUPAC name of methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate (CID 67735074) is methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate.
What is the SMILES notation for methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate?
The canonical SMILES for methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate is COCCC(c1ccc(C(=O)OC)cc1OC)c1c[nH]c2ccc(NC(=O)OC3CCCC3)cc12.
What is the InChIKey of methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate?
The InChIKey is FMZUIWRDZNHIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O6/c1-32-13-12-20(21-10-8-17(26(30)34-3)14-25(21)33-2)23-16-28-24-11-9-18(15-22(23)24)29-27(31)35-19-6-4-5-7-19/h8-11,14-16,19-20,28H,4-7,12-13H2,1-3H3,(H,29,31).
What are the key properties of methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate?
methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate has a molecular weight of 480.56 g/mol, XLogP of 5.62, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[5-(cyclopentyloxycarbonylamino)-1H-indol-3-yl]-3-methoxypropyl]-3-methoxybenzoate is sourced from PubChem (CID 67735074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).