N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide

C18H17NO3 — CID 92757118

IUPACN-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1
InChIInChI=1S/C18H17NO3/c1-2-18(20)19-12-16-11-13-10-15(8-9-17(13)22-16)21-14-6-4-3-5-7-14/h2-10,16H,1,11-12H2,(H,19,20)/t16-/m0/s1
InChIKeyRYWDYCQZIURTGH-INIZCTEOSA-N
MW295.34 g/mol
LogP3.08
Rot. Bonds5

About N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide

N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide (PubChem CID 92757118) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
PubChem CID92757118
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide
SMILESC=CC(=O)NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1
InChIInChI=1S/C18H17NO3/c1-2-18(20)19-12-16-11-13-10-15(8-9-17(13)22-16)21-14-6-4-3-5-7-14/h2-10,16H,1,11-12H2,(H,19,20)/t16-/m0/s1
InChIKeyRYWDYCQZIURTGH-INIZCTEOSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-phenoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
CID 92761558
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)prop-2-enamide
CID 61003696
2-methyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46090158
4-fluoro-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 46082466
3,4-dimethoxy-N-[[(2R)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92767700
(2R)-2-ethyl-N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]hexanamide
CID 92758001
2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide
CID 46090185
N-[[(2S)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-phenoxyacetamide
CID 92757032
(E)-N-[(5-methoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]but-2-enamide
CID 42656668
N-[[(2R)-5-methoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]naphthalene-2-carboxamide
CID 92760795
(E)-N-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-phenylprop-2-enamide
CID 46090240
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide?
The IUPAC name of N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide (CID 92757118) is N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide?
The canonical SMILES for N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide is C=CC(=O)NC[C@@H]1Cc2cc(Oc3ccccc3)ccc2O1.
What is the InChIKey of N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide?
The InChIKey is RYWDYCQZIURTGH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17NO3/c1-2-18(20)19-12-16-11-13-10-15(8-9-17(13)22-16)21-14-6-4-3-5-7-14/h2-10,16H,1,11-12H2,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide?
N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide has a molecular weight of 295.34 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-5-phenoxy-2,3-dihydro-1-benzofuran-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 92757118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).