methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate

C18H22N2O4 — CID 44576406

IUPACmethyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2occ(CCNC(=O)C3CCCC3)c2c1
InChIInChI=1S/C18H22N2O4/c1-23-18(22)20-14-6-7-16-15(10-14)13(11-24-16)8-9-19-17(21)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyWPUVYHBPRBDQLZ-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.46
Rot. Bonds5

About methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate

methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate (PubChem CID 44576406) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate
PubChem CID44576406
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namemethyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate
SMILESCOC(=O)Nc1ccc2occ(CCNC(=O)C3CCCC3)c2c1
InChIInChI=1S/C18H22N2O4/c1-23-18(22)20-14-6-7-16-15(10-14)13(11-24-16)8-9-19-17(21)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,21)(H,20,22)
InChIKeyWPUVYHBPRBDQLZ-UHFFFAOYSA-N
XLogP3.46
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate?
The IUPAC name of methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate (CID 44576406) is methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate.
What is the SMILES notation for methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate?
The canonical SMILES for methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate is COC(=O)Nc1ccc2occ(CCNC(=O)C3CCCC3)c2c1.
What is the InChIKey of methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate?
The InChIKey is WPUVYHBPRBDQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-23-18(22)20-14-6-7-16-15(10-14)13(11-24-16)8-9-19-17(21)12-4-2-3-5-12/h6-7,10-12H,2-5,8-9H2,1H3,(H,19,21)(H,20,22).
What are the key properties of methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate?
methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate has a molecular weight of 330.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[2-(cyclopentanecarbonylamino)ethyl]-1-benzofuran-5-yl]carbamate is sourced from PubChem (CID 44576406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).