(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide

C20H21NO4 — CID 97414269

IUPAC(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCC[C@@H](O)c1cc2ccccc2o1
InChIInChI=1S/C20H21NO4/c1-14(24-16-8-3-2-4-9-16)20(23)21-12-11-17(22)19-13-15-7-5-6-10-18(15)25-19/h2-10,13-14,17,22H,11-12H2,1H3,(H,21,23)/t14-,17+/m0/s1
InChIKeyWSTBNPQLCCAHRG-WMLDXEAASA-N
MW339.39 g/mol
LogP3.44
Rot. Bonds7

About (2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide

(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide (PubChem CID 97414269) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide
PubChem CID97414269
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide
SMILESC[C@H](Oc1ccccc1)C(=O)NCC[C@@H](O)c1cc2ccccc2o1
InChIInChI=1S/C20H21NO4/c1-14(24-16-8-3-2-4-9-16)20(23)21-12-11-17(22)19-13-15-7-5-6-10-18(15)25-19/h2-10,13-14,17,22H,11-12H2,1H3,(H,21,23)/t14-,17+/m0/s1
InChIKeyWSTBNPQLCCAHRG-WMLDXEAASA-N
XLogP3.44
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxypropanoyl]amino]ethyl]propanamide
CID 7039405
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-bromofuran-2-carboxamide
CID 97414288
1-(1-benzofuran-2-yl)-3-(ethylamino)propan-1-ol
CID 71150503
(2S)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-bromophenoxy)propanamide
CID 9367367
(2S)-2-phenoxy-N-[9-[[(2S)-2-phenoxypropanoyl]amino]nonyl]propanamide
CID 28839964
(2R)-N-[(3S)-3-hydroxy-3-(oxan-4-yl)propyl]-2-phenoxypropanamide
CID 99996598
N-[3-amino-4-(1-benzofuran-2-yl)-4-hydroxybutyl]-2-methylpropanamide
CID 57302607
3-(2-phenoxypropanoylamino)propanoic acid
CID 43092387
N-[2-(methylamino)ethyl]-2-phenoxypropanamide
CID 119503949
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-4-phenyloxane-4-carboxamide
CID 97414295
N-ethyl-2-phenoxypropanamide
CID 4282518
1-[3-(1-benzofuran-2-yl)-3-hydroxypropyl]-3-thiophen-2-ylurea
CID 71804285

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide?
The IUPAC name of (2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide (CID 97414269) is (2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide.
What is the SMILES notation for (2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide?
The canonical SMILES for (2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide is C[C@H](Oc1ccccc1)C(=O)NCC[C@@H](O)c1cc2ccccc2o1.
What is the InChIKey of (2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide?
The InChIKey is WSTBNPQLCCAHRG-WMLDXEAASA-N. The full InChI is InChI=1S/C20H21NO4/c1-14(24-16-8-3-2-4-9-16)20(23)21-12-11-17(22)19-13-15-7-5-6-10-18(15)25-19/h2-10,13-14,17,22H,11-12H2,1H3,(H,21,23)/t14-,17+/m0/s1.
What are the key properties of (2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide?
(2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide has a molecular weight of 339.39 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(3R)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-2-phenoxypropanamide is sourced from PubChem (CID 97414269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).