(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C19H20N2O3 — CID 37462398

IUPAC(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc([C@H](C)NC(=O)[C@H]2Cc3ccccc3O2)c1
InChIInChI=1S/C19H20N2O3/c1-12(14-7-5-8-16(10-14)21-13(2)22)20-19(23)18-11-15-6-3-4-9-17(15)24-18/h3-10,12,18H,11H2,1-2H3,(H,20,23)(H,21,22)/t12-,18+/m0/s1
InChIKeyWRDHSPPVAVMUAE-KPZWWZAWSA-N
MW324.38 g/mol
LogP2.83
Rot. Bonds4

About (2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 37462398) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID37462398
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(=O)Nc1cccc([C@H](C)NC(=O)[C@H]2Cc3ccccc3O2)c1
InChIInChI=1S/C19H20N2O3/c1-12(14-7-5-8-16(10-14)21-13(2)22)20-19(23)18-11-15-6-3-4-9-17(15)24-18/h3-10,12,18H,11H2,1-2H3,(H,20,23)(H,21,22)/t12-,18+/m0/s1
InChIKeyWRDHSPPVAVMUAE-KPZWWZAWSA-N
XLogP2.83
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-[1-(3-chlorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42892740
N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide
CID 46580355
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
(2S)-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 39996118
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793270
N-[1-[2-(methanesulfonamido)phenyl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55961284
(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37006047
2-[4-[(1R)-1-[[(2R)-2,3-dihydro-1-benzofuran-2-carbonyl]amino]ethyl]phenoxy]acetic acid
CID 129469380
N-[1-(3-bromophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 43059240

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 37462398) is (2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CC(=O)Nc1cccc([C@H](C)NC(=O)[C@H]2Cc3ccccc3O2)c1.
What is the InChIKey of (2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is WRDHSPPVAVMUAE-KPZWWZAWSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-12(14-7-5-8-16(10-14)21-13(2)22)20-19(23)18-11-15-6-3-4-9-17(15)24-18/h3-10,12,18H,11H2,1-2H3,(H,20,23)(H,21,22)/t12-,18+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 37462398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).