(2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide

C22H26N2O4 — CID 25360341

IUPAC(2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
SMILESCCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1)O[C@@H](C)C2
InChIInChI=1S/C22H26N2O4/c1-5-27-21-11-17-10-13(2)28-20(17)12-19(21)23-14(3)22(26)24-18-8-6-16(7-9-18)15(4)25/h6-9,11-14,23H,5,10H2,1-4H3,(H,24,26)/t13-,14+/m0/s1
InChIKeyFDBSNAFNTYBLFY-UONOGXRCSA-N
MW382.46 g/mol
LogP4.05
Rot. Bonds7

About (2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide

(2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide (PubChem CID 25360341) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is (2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
PubChem CID25360341
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name(2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
SMILESCCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1)O[C@@H](C)C2
InChIInChI=1S/C22H26N2O4/c1-5-27-21-11-17-10-13(2)28-20(17)12-19(21)23-14(3)22(26)24-18-8-6-16(7-9-18)15(4)25/h6-9,11-14,23H,5,10H2,1-4H3,(H,24,26)/t13-,14+/m0/s1
InChIKeyFDBSNAFNTYBLFY-UONOGXRCSA-N
XLogP4.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide with MolForge

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Related Compounds

(2R)-2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(4-methoxyphenyl)propanamide
CID 25376384
(2S)-2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(4-nitrophenyl)propanamide
CID 25359808
(2S)-N-(3-cyanophenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25361084
(2S)-N-(2-chlorophenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25342906
(2S)-N-(2,4-dichlorophenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25360069
N-(2-bromo-4-methylphenyl)-2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)amino]propanamide
CID 42926535
(2R)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25329420
(2S)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25329417
4-acetyl-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)benzenesulfonamide
CID 17491170
(E)-N-(4-acetylphenyl)-3-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)prop-2-enamide
CID 42999458
(2R)-N-(2-chloro-5-nitrophenyl)-2-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25359887
(2S)-N-(2-chloro-5-nitrophenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide
CID 25359885

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide?
The IUPAC name of (2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide (CID 25360341) is (2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide.
What is the SMILES notation for (2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide?
The canonical SMILES for (2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide is CCOc1cc2c(cc1N[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1)O[C@@H](C)C2.
What is the InChIKey of (2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide?
The InChIKey is FDBSNAFNTYBLFY-UONOGXRCSA-N. The full InChI is InChI=1S/C22H26N2O4/c1-5-27-21-11-17-10-13(2)28-20(17)12-19(21)23-14(3)22(26)24-18-8-6-16(7-9-18)15(4)25/h6-9,11-14,23H,5,10H2,1-4H3,(H,24,26)/t13-,14+/m0/s1.
What are the key properties of (2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide?
(2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide has a molecular weight of 382.46 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetylphenyl)-2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]amino]propanamide is sourced from PubChem (CID 25360341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).