N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

C16H17NO4 — CID 71879499

IUPACN-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(C)o2)cc1CO
InChIInChI=1S/C16H17NO4/c1-11-3-5-14(21-11)6-8-16(19)17-13-4-7-15(20-2)12(9-13)10-18/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyOWEHHUMUAIUFFG-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.74
Rot. Bonds5

About N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide

N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (PubChem CID 71879499) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
PubChem CID71879499
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC NameN-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)C=Cc2ccc(C)o2)cc1CO
InChIInChI=1S/C16H17NO4/c1-11-3-5-14(21-11)6-8-16(19)17-13-4-7-15(20-2)12(9-13)10-18/h3-9,18H,10H2,1-2H3,(H,17,19)
InChIKeyOWEHHUMUAIUFFG-UHFFFAOYSA-N
XLogP2.74
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.74
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)-N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75462529
(E)-3-(5-methylfuran-2-yl)-N-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26101754
(E)-N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712961
N-(2,5-dimethoxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712960
N-(4,5-dimethoxy-2-methylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 75618524
(E)-N-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 15945387
(E)-3-(5-methylfuran-2-yl)-N-naphthalen-2-ylprop-2-enamide
CID 2146457
N-[3-(hydroxymethyl)-4-methoxyphenyl]acetamide
CID 82469130
(E)-N-[2-(2-methoxyphenyl)ethyl]-3-(5-methylfuran-2-yl)prop-2-enamide
CID 26778092
(E)-N-(3-hydroxyphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 78783838
2-methoxyethyl N-[3-[3-(5-methylfuran-2-yl)prop-2-enoylamino]phenyl]carbamate
CID 76870592
N-(3-chloro-4-fluorophenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 896719

Frequently Asked Questions

What is the IUPAC name of N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The IUPAC name of N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide (CID 71879499) is N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide.
What is the SMILES notation for N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The canonical SMILES for N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is COc1ccc(NC(=O)C=Cc2ccc(C)o2)cc1CO.
What is the InChIKey of N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
The InChIKey is OWEHHUMUAIUFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11-3-5-14(21-11)6-8-16(19)17-13-4-7-15(20-2)12(9-13)10-18/h3-9,18H,10H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide?
N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide has a molecular weight of 287.32 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(hydroxymethyl)-4-methoxyphenyl]-3-(5-methylfuran-2-yl)prop-2-enamide is sourced from PubChem (CID 71879499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).