(3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide

C18H23N3O4 — CID 94039986

IUPAC(3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
SMILESCCOc1cccc2cc([C@@H](C)NC(=O)N3CC[C@@H](C(N)=O)C3)oc12
InChIInChI=1S/C18H23N3O4/c1-3-24-14-6-4-5-12-9-15(25-16(12)14)11(2)20-18(23)21-8-7-13(10-21)17(19)22/h4-6,9,11,13H,3,7-8,10H2,1-2H3,(H2,19,22)(H,20,23)/t11-,13-/m1/s1
InChIKeyKLOCPNUXGAPTFF-DGCLKSJQSA-N
MW345.40 g/mol
LogP2.41
Rot. Bonds5

About (3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide

(3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 94039986) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is (3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
PubChem CID94039986
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name(3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
SMILESCCOc1cccc2cc([C@@H](C)NC(=O)N3CC[C@@H](C(N)=O)C3)oc12
InChIInChI=1S/C18H23N3O4/c1-3-24-14-6-4-5-12-9-15(25-16(12)14)11(2)20-18(23)21-8-7-13(10-21)17(19)22/h4-6,9,11,13H,3,7-8,10H2,1-2H3,(H2,19,22)(H,20,23)/t11-,13-/m1/s1
InChIKeyKLOCPNUXGAPTFF-DGCLKSJQSA-N
XLogP2.41
TPSA97.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide with MolForge

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Related Compounds

N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-5-methyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 136539624
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633786
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]piperidine-4-carboxamide
CID 119273307
4-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pentanamide
CID 120559371
N-[2-[1-(7-ethoxy-1-benzofuran-2-yl)ethylamino]-2-oxoethyl]cyclohexanecarboxamide
CID 17403478
N-[2-[[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 41095730
1-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78879968
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015116
1-amino-N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119273327
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]adamantane-1-carboxamide
CID 55396253
N-[1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-2-fluoroprop-2-enamide
CID 166417291
1-[(1S)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]-3-[[(1R,3R)-3-hydroxycyclopentyl]methyl]urea
CID 129429535

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide (CID 94039986) is (3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide is CCOc1cccc2cc([C@@H](C)NC(=O)N3CC[C@@H](C(N)=O)C3)oc12.
What is the InChIKey of (3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is KLOCPNUXGAPTFF-DGCLKSJQSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-3-24-14-6-4-5-12-9-15(25-16(12)14)11(2)20-18(23)21-8-7-13(10-21)17(19)22/h4-6,9,11,13H,3,7-8,10H2,1-2H3,(H2,19,22)(H,20,23)/t11-,13-/m1/s1.
What are the key properties of (3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide?
(3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 345.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[(1R)-1-(7-ethoxy-1-benzofuran-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 94039986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).