N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C28H26N2O4 — CID 42448909

IUPACN-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1cccc(N3CCCC3=O)c1)O2
InChIInChI=1S/C28H26N2O4/c1-18(31)24-8-2-3-9-25(24)19-11-12-26-21(14-19)16-23(34-26)17-29-28(33)20-6-4-7-22(15-20)30-13-5-10-27(30)32/h2-4,6-9,11-12,14-15,23H,5,10,13,16-17H2,1H3,(H,29,33)/t23-/m1/s1
InChIKeyWBOVGCUXDCRQEA-HSZRJFAPSA-N
MW454.53 g/mol
LogP4.42
Rot. Bonds6

About N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 42448909) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID42448909
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC NameN-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1cccc(N3CCCC3=O)c1)O2
InChIInChI=1S/C28H26N2O4/c1-18(31)24-8-2-3-9-25(24)19-11-12-26-21(14-19)16-23(34-26)17-29-28(33)20-6-4-7-22(15-20)30-13-5-10-27(30)32/h2-4,6-9,11-12,14-15,23H,5,10,13,16-17H2,1H3,(H,29,33)/t23-/m1/s1
InChIKeyWBOVGCUXDCRQEA-HSZRJFAPSA-N
XLogP4.42
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-oxopyrrolidin-1-yl)-N-[(5-pyrimidin-5-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45191429
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]cyclohexene-1-carboxamide
CID 26278177
N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-methylpropanamide
CID 26343807
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 26319322
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylfuran-2-carboxamide
CID 42345096
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyridine-2-carboxamide
CID 126465751
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 45213186
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 45165822
(2S)-N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42169368
N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-phenylprop-2-ynamide
CID 42417778
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-methylpentanamide
CID 45172673
N-[[5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 45186822

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 42448909) is N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CC(=O)c1ccccc1-c1ccc2c(c1)C[C@H](CNC(=O)c1cccc(N3CCCC3=O)c1)O2.
What is the InChIKey of N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is WBOVGCUXDCRQEA-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-18(31)24-8-2-3-9-25(24)19-11-12-26-21(14-19)16-23(34-26)17-29-28(33)20-6-4-7-22(15-20)30-13-5-10-27(30)32/h2-4,6-9,11-12,14-15,23H,5,10,13,16-17H2,1H3,(H,29,33)/t23-/m1/s1.
What are the key properties of N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 454.53 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 42448909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).