N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide

C20H20N2O3 — CID 40952834

IUPACN-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-13(15-8-4-3-5-9-15)21-12-18(24)22-19-16-10-6-7-11-17(16)25-20(19)14(2)23/h3-11,13,21H,12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyJCJPFLMMAQHWEU-CYBMUJFWSA-N
MW336.39 g/mol
LogP3.92
Rot. Bonds6

About N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide

N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide (PubChem CID 40952834) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide
PubChem CID40952834
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide
SMILESCC(=O)c1oc2ccccc2c1NC(=O)CN[C@H](C)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-13(15-8-4-3-5-9-15)21-12-18(24)22-19-16-10-6-7-11-17(16)25-20(19)14(2)23/h3-11,13,21H,12H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyJCJPFLMMAQHWEU-CYBMUJFWSA-N
XLogP3.92
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-dibenzofuran-2-yl-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 8519906
N-[2,6-di(propan-2-yl)phenyl]-2-(1-phenylethylamino)acetamide
CID 4877514
N-phenyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 8898362
N-(2-acetyl-1-benzofuran-3-yl)-2-propoxyacetamide
CID 86817850
N-(2-acetyl-1-benzofuran-3-yl)-2-piperidin-1-ylacetamide;hydrochloride
CID 2916581
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 41362468
2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43777777
N-(2-acetyl-1-benzofuran-3-yl)-2-[3-hydroxybutyl(methyl)amino]propanamide
CID 111496772

Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The IUPAC name of N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide (CID 40952834) is N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide.
What is the SMILES notation for N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The canonical SMILES for N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide is CC(=O)c1oc2ccccc2c1NC(=O)CN[C@H](C)c1ccccc1.
What is the InChIKey of N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
The InChIKey is JCJPFLMMAQHWEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-13(15-8-4-3-5-9-15)21-12-18(24)22-19-16-10-6-7-11-17(16)25-20(19)14(2)23/h3-11,13,21H,12H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide?
N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide has a molecular weight of 336.39 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-1-benzofuran-3-yl)-2-[[(1R)-1-phenylethyl]amino]acetamide is sourced from PubChem (CID 40952834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).