(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide

C13H17NO3 — CID 99829015

IUPAC(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO3/c1-9(15)13(16)14-6-4-10-2-3-12-11(8-10)5-7-17-12/h2-3,8-9,15H,4-7H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyASTPQAOVSNDASM-VIFPVBQESA-N
MW235.28 g/mol
LogP0.66
Rot. Bonds4

About (2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide

(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide (PubChem CID 99829015) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
PubChem CID99829015
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide
SMILESC[C@H](O)C(=O)NCCc1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO3/c1-9(15)13(16)14-6-4-10-2-3-12-11(8-10)5-7-17-12/h2-3,8-9,15H,4-7H2,1H3,(H,14,16)/t9-/m0/s1
InChIKeyASTPQAOVSNDASM-VIFPVBQESA-N
XLogP0.66
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(hydroxymethyl)butanamide
CID 115186712
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-(4-phenylbutan-2-yl)urea
CID 86952245
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 110792404
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]pentan-2-ol
CID 113376192
2-(3,4-dihydro-2H-chromen-6-yl)ethylurea
CID 115168538
3-chloro-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]propanamide
CID 115162653
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-2-methylbutanoic acid
CID 115220891
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]-4-methylpentanoic acid
CID 65444506
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[(2S,4R)-4-(furan-2-yl)-4-hydroxybutan-2-yl]urea
CID 97225246
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-1-hydroxycyclopentane-1-carboxamide
CID 111334716
2-(1,3-benzodioxol-5-yl)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]acetamide
CID 122136652
1-acetyl-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]piperidine-4-carboxamide
CID 110796341

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide?
The IUPAC name of (2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide (CID 99829015) is (2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide?
The canonical SMILES for (2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide is C[C@H](O)C(=O)NCCc1ccc2c(c1)CCO2.
What is the InChIKey of (2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide?
The InChIKey is ASTPQAOVSNDASM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17NO3/c1-9(15)13(16)14-6-4-10-2-3-12-11(8-10)5-7-17-12/h2-3,8-9,15H,4-7H2,1H3,(H,14,16)/t9-/m0/s1.
What are the key properties of (2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide?
(2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide has a molecular weight of 235.28 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-hydroxypropanamide is sourced from PubChem (CID 99829015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).