5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide

C20H26N2O4 — CID 19455019

IUPAC5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)NCCCN2CCOCC2)o1
InChIInChI=1S/C20H26N2O4/c1-16-5-2-3-6-18(16)25-15-17-7-8-19(26-17)20(23)21-9-4-10-22-11-13-24-14-12-22/h2-3,5-8H,4,9-15H2,1H3,(H,21,23)
InChIKeyIJBGCTJAFFDUHY-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.62
Rot. Bonds8

About 5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide

5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (PubChem CID 19455019) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
PubChem CID19455019
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESCc1ccccc1OCc1ccc(C(=O)NCCCN2CCOCC2)o1
InChIInChI=1S/C20H26N2O4/c1-16-5-2-3-6-18(16)25-15-17-7-8-19(26-17)20(23)21-9-4-10-22-11-13-24-14-12-22/h2-3,5-8H,4,9-15H2,1H3,(H,21,23)
InChIKeyIJBGCTJAFFDUHY-UHFFFAOYSA-N
XLogP2.62
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19452680
5-[(2,6-dimethylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 19446953
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19461255
5-[(2-methylphenoxy)methyl]-N-(2-sulfanylethyl)furan-2-carboxamide
CID 19455044
N-[3-(4-chloropyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19330323
N-[3-(4-chloro-3-methylpyrazol-1-yl)propyl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19325796
N-(cyclobutylmethyl)-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95756411
N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461514
5-[(2-methylphenoxy)methyl]furan-2-carboxylate
CID 7015943
N-(3-morpholin-4-ylpropyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047764
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
5-[(2-methylphenoxy)methyl]-N-(2-methylphenyl)furan-2-carboxamide
CID 6460539

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (CID 19455019) is 5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is Cc1ccccc1OCc1ccc(C(=O)NCCCN2CCOCC2)o1.
What is the InChIKey of 5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The InChIKey is IJBGCTJAFFDUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-16-5-2-3-6-18(16)25-15-17-7-8-19(26-17)20(23)21-9-4-10-22-11-13-24-14-12-22/h2-3,5-8H,4,9-15H2,1H3,(H,21,23).
What are the key properties of 5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 19455019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).