N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide

C19H21NO3 — CID 110751057

IUPACN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC1COc2ccccc21
InChIInChI=1S/C19H21NO3/c21-19(11-6-12-22-16-7-2-1-3-8-16)20-13-15-14-23-18-10-5-4-9-17(15)18/h1-5,7-10,15H,6,11-14H2,(H,20,21)
InChIKeyOMAHAHSCBNGBKF-UHFFFAOYSA-N
MW311.38 g/mol
LogP3.14
Rot. Bonds7

About N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide (PubChem CID 110751057) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide
PubChem CID110751057
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC1COc2ccccc21
InChIInChI=1S/C19H21NO3/c21-19(11-6-12-22-16-7-2-1-3-8-16)20-13-15-14-23-18-10-5-4-9-17(15)18/h1-5,7-10,15H,6,11-14H2,(H,20,21)
InChIKeyOMAHAHSCBNGBKF-UHFFFAOYSA-N
XLogP3.14
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-phenoxyacetamide
CID 110751750
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-naphthalen-2-yloxyacetamide
CID 126853964
1-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(3-phenylpropyl)urea
CID 129487413
3-(3-but-3-ynyldiazirin-3-yl)-N-(2,3-dihydro-1-benzofuran-3-ylmethyl)propanamide
CID 167985492
4-(2,3-dihydro-1-benzofuran-3-ylmethylamino)butanamide
CID 79225953
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-2-methylbenzamide
CID 110751726
4-(4-methoxyphenoxy)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)butanamide
CID 46579063
N-[[(3S)-2,3-dihydro-1-benzofuran-3-yl]methyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 129487565
1-[[(3R)-2,3-dihydro-1-benzofuran-3-yl]methyl]-3-(oxan-4-yl)urea
CID 129487326
N-[[(2R)-oxiran-2-yl]methyl]-2-phenoxyacetamide
CID 97180854
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
N-(3-amino-2-hydroxy-3-oxopropyl)-4-phenoxybutanamide
CID 107261214

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide (CID 110751057) is N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCC1COc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide?
The InChIKey is OMAHAHSCBNGBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c21-19(11-6-12-22-16-7-2-1-3-8-16)20-13-15-14-23-18-10-5-4-9-17(15)18/h1-5,7-10,15H,6,11-14H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide?
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide has a molecular weight of 311.38 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-4-phenoxybutanamide is sourced from PubChem (CID 110751057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).