propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate

C28H36N2O5 — CID 67990229

IUPACpropan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate
SMILESCOCCN(C)C(=O)c1ccc(-c2ccc3c(c2)CC(C2CCN(C(=O)OC(C)C)CC2)O3)cc1
InChIInChI=1S/C28H36N2O5/c1-19(2)34-28(32)30-13-11-21(12-14-30)26-18-24-17-23(9-10-25(24)35-26)20-5-7-22(8-6-20)27(31)29(3)15-16-33-4/h5-10,17,19,21,26H,11-16,18H2,1-4H3
InChIKeyNSSJCWVHYCDMBC-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.63
Rot. Bonds7

About propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate

propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate (PubChem CID 67990229) has the molecular formula C28H36N2O5 and a molecular weight of 480.61 g/mol. Its IUPAC name is propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate
PubChem CID67990229
Molecular FormulaC28H36N2O5
Molecular Weight480.61 g/mol
Exact Mass480.26
IUPAC Namepropan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate
SMILESCOCCN(C)C(=O)c1ccc(-c2ccc3c(c2)CC(C2CCN(C(=O)OC(C)C)CC2)O3)cc1
InChIInChI=1S/C28H36N2O5/c1-19(2)34-28(32)30-13-11-21(12-14-30)26-18-24-17-23(9-10-25(24)35-26)20-5-7-22(8-6-20)27(31)29(3)15-16-33-4/h5-10,17,19,21,26H,11-16,18H2,1-4H3
InChIKeyNSSJCWVHYCDMBC-UHFFFAOYSA-N
XLogP4.63
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate (CID 67990229) is propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate is COCCN(C)C(=O)c1ccc(-c2ccc3c(c2)CC(C2CCN(C(=O)OC(C)C)CC2)O3)cc1.
What is the InChIKey of propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate?
The InChIKey is NSSJCWVHYCDMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O5/c1-19(2)34-28(32)30-13-11-21(12-14-30)26-18-24-17-23(9-10-25(24)35-26)20-5-7-22(8-6-20)27(31)29(3)15-16-33-4/h5-10,17,19,21,26H,11-16,18H2,1-4H3.
What are the key properties of propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate?
propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate has a molecular weight of 480.61 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[5-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 67990229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).