N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide

C20H23NO4 — CID 86263918

IUPACN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C20H23NO4/c1-24-17-6-2-14(3-7-17)4-9-20(23)21-13-18(22)15-5-8-19-16(12-15)10-11-25-19/h2-3,5-8,12,18,22H,4,9-11,13H2,1H3,(H,21,23)
InChIKeyODWOAKXVFMTHPJ-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.41
Rot. Bonds7

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide (PubChem CID 86263918) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide
PubChem CID86263918
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide
SMILESCOc1ccc(CCC(=O)NCC(O)c2ccc3c(c2)CCO3)cc1
InChIInChI=1S/C20H23NO4/c1-24-17-6-2-14(3-7-17)4-9-20(23)21-13-18(22)15-5-8-19-16(12-15)10-11-25-19/h2-3,5-8,12,18,22H,4,9-11,13H2,1H3,(H,21,23)
InChIKeyODWOAKXVFMTHPJ-UHFFFAOYSA-N
XLogP2.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 110792396
N-[2-hydroxy-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 90582216
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-(2-methoxyphenoxy)acetamide
CID 71803449
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(4-methoxyphenyl)propan-1-one
CID 43338452
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]propanamide
CID 43035568
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-(4-phenylphenyl)acetamide
CID 90580796
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide
CID 71798200
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 90580828
N'-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-N-[(4-methylphenyl)methyl]oxamide
CID 90580935
3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(2S)-2-hydroxy-2-(4-methoxyphenyl)ethyl]propanamide
CID 97227769

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide?
The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide (CID 86263918) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide?
The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide is COc1ccc(CCC(=O)NCC(O)c2ccc3c(c2)CCO3)cc1.
What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide?
The InChIKey is ODWOAKXVFMTHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-24-17-6-2-14(3-7-17)4-9-20(23)21-13-18(22)15-5-8-19-16(12-15)10-11-25-19/h2-3,5-8,12,18,22H,4,9-11,13H2,1H3,(H,21,23).
What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide?
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)propanamide has a molecular weight of 341.41 g/mol, XLogP of 2.41, 7 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]-3-(4-methoxyphenyl)propanamide is sourced from PubChem (CID 86263918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).