N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

C19H21NO3 — CID 111471606

IUPACN-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1c2ccccc2OC1C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-13-15-9-5-6-10-17(15)23-18(13)19(22)20-12-11-16(21)14-7-3-2-4-8-14/h2-10,13,16,18,21H,11-12H2,1H3,(H,20,22)
InChIKeyBQQUHLFLJLTHFV-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.79
Rot. Bonds5

About N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 111471606) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID111471606
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC NameN-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC1c2ccccc2OC1C(=O)NCCC(O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-13-15-9-5-6-10-17(15)23-18(13)19(22)20-12-11-16(21)14-7-3-2-4-8-14/h2-10,13,16,18,21H,11-12H2,1H3,(H,20,22)
InChIKeyBQQUHLFLJLTHFV-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(2R,3S)-3-methyl-2,3-dihydro-1-benzofuran-2-carbonyl]amino]propanoic acid
CID 125154327
N-(3-hydroxy-3-phenylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111471611
N-(3-hydroxy-3-phenylpropyl)acetamide
CID 67579721
N-(3-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111471582
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110004495
N-(3-hydroxy-4-methoxybutyl)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103877542
3-methyl-N-(5-phenyl-1,2-oxazol-3-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 119032993
N-(3-hydroxy-3-phenylpropyl)-4-methylmorpholine-2-carboxamide
CID 111719911
2-(diethylamino)-N-(3-hydroxy-3-phenylpropyl)acetamide
CID 111661950
(2R,3S)-2-methyl-N-(4-methylpentyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 93241067
N-ethyl-N'-(3-hydroxy-3-phenylpropyl)butanediamide
CID 111472033

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 111471606) is N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is CC1c2ccccc2OC1C(=O)NCCC(O)c1ccccc1.
What is the InChIKey of N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is BQQUHLFLJLTHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-13-15-9-5-6-10-17(15)23-18(13)19(22)20-12-11-16(21)14-7-3-2-4-8-14/h2-10,13,16,18,21H,11-12H2,1H3,(H,20,22).
What are the key properties of N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-3-phenylpropyl)-3-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 111471606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).