(E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide

C17H17NO4 — CID 99874025

IUPAC(E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NC[C@@]1(O)CCOc2ccccc21
InChIInChI=1S/C17H17NO4/c19-16(6-5-13-7-9-21-11-13)18-12-17(20)8-10-22-15-4-2-1-3-14(15)17/h1-7,9,11,20H,8,10,12H2,(H,18,19)/b6-5+/t17-/m0/s1
InChIKeyWXXKWUAUCRHTJE-RTRPANQVSA-N
MW299.33 g/mol
LogP2.08
Rot. Bonds4

About (E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide

(E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide (PubChem CID 99874025) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide
PubChem CID99874025
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide
SMILESO=C(/C=C/c1ccoc1)NC[C@@]1(O)CCOc2ccccc21
InChIInChI=1S/C17H17NO4/c19-16(6-5-13-7-9-21-11-13)18-12-17(20)8-10-22-15-4-2-1-3-14(15)17/h1-7,9,11,20H,8,10,12H2,(H,18,19)/b6-5+/t17-/m0/s1
InChIKeyWXXKWUAUCRHTJE-RTRPANQVSA-N
XLogP2.08
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3,4-dimethoxyphenyl)-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]prop-2-enamide
CID 90535769
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]furan-2-carboxamide
CID 71788867
(E)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-2-phenylethenesulfonamide
CID 95984892
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-4-phenylbenzamide
CID 90535759
1-[(4-chlorophenyl)methyl]-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 71788977
2-(4-fluorophenyl)-N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]acetamide
CID 95984816
2-[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]acetic acid
CID 94425211
3,4-dichloro-N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]benzamide
CID 90535754
1-(1-adamantyl)-3-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]urea
CID 90535988
N'-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 95984909
N-[(4-hydroxy-2,3-dihydrochromen-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 90535673
N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-1-(3-methylphenyl)methanesulfonamide
CID 95984899

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide (CID 99874025) is (E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide is O=C(/C=C/c1ccoc1)NC[C@@]1(O)CCOc2ccccc21.
What is the InChIKey of (E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide?
The InChIKey is WXXKWUAUCRHTJE-RTRPANQVSA-N. The full InChI is InChI=1S/C17H17NO4/c19-16(6-5-13-7-9-21-11-13)18-12-17(20)8-10-22-15-4-2-1-3-14(15)17/h1-7,9,11,20H,8,10,12H2,(H,18,19)/b6-5+/t17-/m0/s1.
What are the key properties of (E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide?
(E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide has a molecular weight of 299.33 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-3-yl)-N-[[(4R)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]prop-2-enamide is sourced from PubChem (CID 99874025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).