N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide

C25H26N2O3 — CID 71276775

IUPACN-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1CCN(C(=O)C2CC2)C1)c1ccc(-c2ccc3occc3c2)cc1
InChIInChI=1S/C25H26N2O3/c1-26(24(28)14-17-10-12-27(16-17)25(29)19-2-3-19)22-7-4-18(5-8-22)20-6-9-23-21(15-20)11-13-30-23/h4-9,11,13,15,17,19H,2-3,10,12,14,16H2,1H3/t17-/m0/s1
InChIKeyRXDSOCGKKOVGLM-KRWDZBQOSA-N
MW402.49 g/mol
LogP4.71
Rot. Bonds5

About N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide

N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide (PubChem CID 71276775) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide
PubChem CID71276775
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide
SMILESCN(C(=O)C[C@@H]1CCN(C(=O)C2CC2)C1)c1ccc(-c2ccc3occc3c2)cc1
InChIInChI=1S/C25H26N2O3/c1-26(24(28)14-17-10-12-27(16-17)25(29)19-2-3-19)22-7-4-18(5-8-22)20-6-9-23-21(15-20)11-13-30-23/h4-9,11,13,15,17,19H,2-3,10,12,14,16H2,1H3/t17-/m0/s1
InChIKeyRXDSOCGKKOVGLM-KRWDZBQOSA-N
XLogP4.71
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1-benzofuran-5-yl)-2-fluorophenyl]-2-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide
CID 78047403
5-[4-(1-benzofuran-5-yl)phenyl]-4-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-methyl-1,2,4-triazol-3-one
CID 56941348
3-[4-(1-benzofuran-5-yl)-2-methylphenyl]-4-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one
CID 56940910
4-[4-(1-benzofuran-5-yl)phenyl]-3-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one
CID 67376285
4-[4-(1-benzofuran-5-yl)phenyl]-3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1H-1,2,4-triazol-5-one
CID 67376849
[(3S)-3-[[2-[4-(1-benzofuran-5-yl)phenyl]-5-methoxybenzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66580204
[3-[[8-[4-(1-benzofuran-5-yl)phenyl]-6-chloropurin-9-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 75983899
[(3R)-3-[[8-[4-(1-benzofuran-5-yl)phenyl]-6-chloropurin-9-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 89183393
[(3S)-3-[[2-[4-(1-benzofuran-5-yl)phenyl]-6-bromobenzimidazol-1-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 66579551
2-[4-(1-benzofuran-5-yl)phenyl]-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-methyl-5-phenylimidazol-4-one
CID 131999283
[(3S)-3-[[2-(2-aminoethyl)-4-[4-(1-benzofuran-5-yl)phenyl]-3H-1,2,4-triazol-5-yl]methyl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 149052050
2-[4-(1-benzofuran-5-yl)phenyl]-3-[[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-N-methylbenzimidazole-4-carboxamide
CID 77148301

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide (CID 71276775) is N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide is CN(C(=O)C[C@@H]1CCN(C(=O)C2CC2)C1)c1ccc(-c2ccc3occc3c2)cc1.
What is the InChIKey of N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide?
The InChIKey is RXDSOCGKKOVGLM-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-26(24(28)14-17-10-12-27(16-17)25(29)19-2-3-19)22-7-4-18(5-8-22)20-6-9-23-21(15-20)11-13-30-23/h4-9,11,13,15,17,19H,2-3,10,12,14,16H2,1H3/t17-/m0/s1.
What are the key properties of N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide?
N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide has a molecular weight of 402.49 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzofuran-5-yl)phenyl]-2-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 71276775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).