N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide

C19H21NO4 — CID 121132014

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H21NO4/c1-13(24-16-5-3-2-4-6-16)19(22)20-12-17(21)14-7-8-18-15(11-14)9-10-23-18/h2-8,11,13,17,21H,9-10,12H2,1H3,(H,20,22)
InChIKeyYCHSSTYEEPWIIT-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.24
Rot. Bonds6

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide (PubChem CID 121132014) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide
PubChem CID121132014
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)NCC(O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H21NO4/c1-13(24-16-5-3-2-4-6-16)19(22)20-12-17(21)14-7-8-18-15(11-14)9-10-23-18/h2-8,11,13,17,21H,9-10,12H2,1H3,(H,20,22)
InChIKeyYCHSSTYEEPWIIT-UHFFFAOYSA-N
XLogP2.24
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682
ethyl N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]carbamate
CID 71803417
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 71803449
1-benzhydryl-3-[(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]urea
CID 97105782
(2R)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
CID 97416822
(2R)-N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
CID 97416820
(2S)-N-[(2S)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2-phenoxypropanamide
CID 97416821
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-(4-phenylphenyl)acetamide
CID 90580796
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbenzamide
CID 90580695
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide
CID 86263918
2-(4-chlorophenoxy)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-methylpropanamide
CID 71803461
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]cyclobutanecarboxamide
CID 90580681

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide (CID 121132014) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)NCC(O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide?
The InChIKey is YCHSSTYEEPWIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(24-16-5-3-2-4-6-16)19(22)20-12-17(21)14-7-8-18-15(11-14)9-10-23-18/h2-8,11,13,17,21H,9-10,12H2,1H3,(H,20,22).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide has a molecular weight of 327.38 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-phenoxypropanamide is sourced from PubChem (CID 121132014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).