1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide

C18H20N2O2 — CID 97003353

IUPAC1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2COc3ccccc32)c(C)n1C1CC1
InChIInChI=1S/C18H20N2O2/c1-11-9-15(12(2)20(11)13-7-8-13)18(21)19-16-10-22-17-6-4-3-5-14(16)17/h3-6,9,13,16H,7-8,10H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeySWBFHXXXVBUICS-INIZCTEOSA-N
MW296.37 g/mol
LogP3.30
Rot. Bonds3

About 1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide

1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 97003353) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
PubChem CID97003353
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N[C@H]2COc3ccccc32)c(C)n1C1CC1
InChIInChI=1S/C18H20N2O2/c1-11-9-15(12(2)20(11)13-7-8-13)18(21)19-16-10-22-17-6-4-3-5-14(16)17/h3-6,9,13,16H,7-8,10H2,1-2H3,(H,19,21)/t16-/m0/s1
InChIKeySWBFHXXXVBUICS-INIZCTEOSA-N
XLogP3.30
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide (CID 97003353) is 1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide is Cc1cc(C(=O)N[C@H]2COc3ccccc32)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is SWBFHXXXVBUICS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-11-9-15(12(2)20(11)13-7-8-13)18(21)19-16-10-22-17-6-4-3-5-14(16)17/h3-6,9,13,16H,7-8,10H2,1-2H3,(H,19,21)/t16-/m0/s1.
What are the key properties of 1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide?
1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(3R)-2,3-dihydro-1-benzofuran-3-yl]-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 97003353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).