(2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide

C16H22N2O3 — CID 103794323

IUPAC(2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide
SMILESCCOc1cc2c(cc1NC(=O)[C@H]1CCCN1)OC(C)C2
InChIInChI=1S/C16H22N2O3/c1-3-20-15-8-11-7-10(2)21-14(11)9-13(15)18-16(19)12-5-4-6-17-12/h8-10,12,17H,3-7H2,1-2H3,(H,18,19)/t10?,12-/m1/s1
InChIKeyXBPLCJFDEUKUHN-TVKKRMFBSA-N
MW290.36 g/mol
LogP2.10
Rot. Bonds4

About (2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide

(2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide (PubChem CID 103794323) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide
PubChem CID103794323
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide
SMILESCCOc1cc2c(cc1NC(=O)[C@H]1CCCN1)OC(C)C2
InChIInChI=1S/C16H22N2O3/c1-3-20-15-8-11-7-10(2)21-14(11)9-13(15)18-16(19)12-5-4-6-17-12/h8-10,12,17H,3-7H2,1-2H3,(H,18,19)/t10?,12-/m1/s1
InChIKeyXBPLCJFDEUKUHN-TVKKRMFBSA-N
XLogP2.10
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)oxolane-2-carboxamide
CID 120785022
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 24529762
4-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzamide
CID 119697390
(2R)-N-(2-ethoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 93360332
N-[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-5-methylpyrazine-2-carboxamide
CID 27901219
1-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(4-hydroxycyclohexyl)urea
CID 95155893
5-cyclopropyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazole-3-carboxamide
CID 24668257
N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methyl-3-(methylamino)propanamide
CID 79203858
(2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide
CID 79011910
3-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)carbamoylamino]propanoic acid
CID 122075038
5-chloro-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pentanamide
CID 43347022
N-(2-ethoxyphenyl)pyrrolidine-2-carboxamide
CID 18071495

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide (CID 103794323) is (2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide is CCOc1cc2c(cc1NC(=O)[C@H]1CCCN1)OC(C)C2.
What is the InChIKey of (2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is XBPLCJFDEUKUHN-TVKKRMFBSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-20-15-8-11-7-10(2)21-14(11)9-13(15)18-16(19)12-5-4-6-17-12/h8-10,12,17H,3-7H2,1-2H3,(H,18,19)/t10?,12-/m1/s1.
What are the key properties of (2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide?
(2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 103794323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).