N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

C19H19NO3 — CID 96548553

IUPACN-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCc1cccc(CCNC(=O)C[C@@H]2OC(=O)c3ccccc32)c1
InChIInChI=1S/C19H19NO3/c1-13-5-4-6-14(11-13)9-10-20-18(21)12-17-15-7-2-3-8-16(15)19(22)23-17/h2-8,11,17H,9-10,12H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeySHZCOOPDSUHRNV-KRWDZBQOSA-N
MW309.37 g/mol
LogP2.96
Rot. Bonds5

About N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide

N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (PubChem CID 96548553) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
PubChem CID96548553
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC NameN-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
SMILESCc1cccc(CCNC(=O)C[C@@H]2OC(=O)c3ccccc32)c1
InChIInChI=1S/C19H19NO3/c1-13-5-4-6-14(11-13)9-10-20-18(21)12-17-15-7-2-3-8-16(15)19(22)23-17/h2-8,11,17H,9-10,12H2,1H3,(H,20,21)/t17-/m0/s1
InChIKeySHZCOOPDSUHRNV-KRWDZBQOSA-N
XLogP2.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-methylphenyl)ethyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 96548552
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 95322422
(2S)-2-[[2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]-3-phenylpropanoic acid
CID 97081857
N-[2-(3-methylphenyl)ethyl]-2-(oxan-2-yl)acetamide
CID 110627806
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(3-methylphenyl)ethyl]acetamide
CID 79611025
3-acetamido-N-[2-(3-methylphenyl)ethyl]propanamide
CID 110354308
N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 52868718
N-[2-(3-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62690046
N-(4-fluoro-2-methylphenyl)-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 8863756
methyl 4-methyl-3-[[2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetyl]amino]benzoate
CID 40794912
5-[2-(3-methylphenyl)ethylamino]-5-oxopentanoic acid
CID 62314996
N-ethyl-3-[2-(3-methylphenyl)ethylamino]propanamide
CID 62325702

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The IUPAC name of N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide (CID 96548553) is N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide.
What is the SMILES notation for N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The canonical SMILES for N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is Cc1cccc(CCNC(=O)C[C@@H]2OC(=O)c3ccccc32)c1.
What is the InChIKey of N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
The InChIKey is SHZCOOPDSUHRNV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13-5-4-6-14(11-13)9-10-20-18(21)12-17-15-7-2-3-8-16(15)19(22)23-17/h2-8,11,17H,9-10,12H2,1H3,(H,20,21)/t17-/m0/s1.
What are the key properties of N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide?
N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)ethyl]-2-[(1S)-3-oxo-1H-2-benzofuran-1-yl]acetamide is sourced from PubChem (CID 96548553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).