N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

C19H23NO4 — CID 111912225

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1C=CC(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C19H23NO4/c1-13-5-8-16(23-4)15(11-13)7-10-18(21)20-12-19(3,22)17-9-6-14(2)24-17/h5-11,22H,12H2,1-4H3,(H,20,21)
InChIKeyORACNQLJZUJJKZ-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.94
Rot. Bonds6

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 111912225) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID111912225
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1C=CC(=O)NCC(C)(O)c1ccc(C)o1
InChIInChI=1S/C19H23NO4/c1-13-5-8-16(23-4)15(11-13)7-10-18(21)20-12-19(3,22)17-9-6-14(2)24-17/h5-11,22H,12H2,1-4H3,(H,20,21)
InChIKeyORACNQLJZUJJKZ-UHFFFAOYSA-N
XLogP2.94
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.94
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

N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 111912312
2-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]acetic acid
CID 43241711
(E)-3-(2,5-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 47099182
2-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]-2-methylbutanoic acid
CID 79790035
N-[(2R)-2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methylbut-2-enamide
CID 96567216
3-(4-fluoro-2-nitrophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 111912205
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-methoxy-4-methylbenzamide
CID 111481052
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-quinolin-8-ylprop-2-enamide
CID 111520087
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 46457175
2-methoxy-3-[[(E)-3-(2-methoxy-5-methylphenyl)prop-2-enoyl]amino]propanoic acid
CID 106108090
(E)-3-(2-methoxy-5-methylphenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]prop-2-enamide
CID 9483464
methyl 3-(2-methoxy-5-methylphenyl)prop-2-enoate
CID 54032355

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 111912225) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide is COc1ccc(C)cc1C=CC(=O)NCC(C)(O)c1ccc(C)o1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is ORACNQLJZUJJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13-5-8-16(23-4)15(11-13)7-10-18(21)20-12-19(3,22)17-9-6-14(2)24-17/h5-11,22H,12H2,1-4H3,(H,20,21).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 329.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 111912225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).