N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

C18H21NO4 — CID 111912312

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1C=CC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C18H21NO4/c1-13-6-8-15(22-3)14(11-13)7-9-17(20)19-12-18(2,21)16-5-4-10-23-16/h4-11,21H,12H2,1-3H3,(H,19,20)
InChIKeyDBUWNZHPHIQEFT-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.63
Rot. Bonds6

About N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 111912312) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID111912312
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1C=CC(=O)NCC(C)(O)c1ccco1
InChIInChI=1S/C18H21NO4/c1-13-6-8-15(22-3)14(11-13)7-9-17(20)19-12-18(2,21)16-5-4-10-23-16/h4-11,21H,12H2,1-3H3,(H,19,20)
InChIKeyDBUWNZHPHIQEFT-UHFFFAOYSA-N
XLogP2.63
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.63
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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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 111912312) is N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide is COc1ccc(C)cc1C=CC(=O)NCC(C)(O)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is DBUWNZHPHIQEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-6-8-15(22-3)14(11-13)7-9-17(20)19-12-18(2,21)16-5-4-10-23-16/h4-11,21H,12H2,1-3H3,(H,19,20).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide has a molecular weight of 315.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 111912312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).