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

C21H28N2O4 — CID 19452680

IUPAC5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)NCCCN3CCOCC3)o2)c1
InChIInChI=1S/C21H28N2O4/c1-16-4-5-17(2)20(14-16)26-15-18-6-7-19(27-18)21(24)22-8-3-9-23-10-12-25-13-11-23/h4-7,14H,3,8-13,15H2,1-2H3,(H,22,24)
InChIKeyICGPBALZJBNXPD-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.93
Rot. Bonds8

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

5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (PubChem CID 19452680) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
PubChem CID19452680
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESCc1ccc(C)c(OCc2ccc(C(=O)NCCCN3CCOCC3)o2)c1
InChIInChI=1S/C21H28N2O4/c1-16-4-5-17(2)20(14-16)26-15-18-6-7-19(27-18)21(24)22-8-3-9-23-10-12-25-13-11-23/h4-7,14H,3,8-13,15H2,1-2H3,(H,22,24)
InChIKeyICGPBALZJBNXPD-UHFFFAOYSA-N
XLogP2.93
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.93
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-methylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19455019
5-[(4-methyl-2-nitrophenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 19461255
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
5-[(2,6-dimethylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 19446953
4-[4-(2,5-dimethylphenoxy)butyl]morpholine
CID 2245898
N-cyclopentyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452624
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19283360
5-[(2,5-dimethylphenoxy)methyl]-N-(1,3,5-trimethylpyrazol-4-yl)furan-2-carboxamide
CID 19393388
N-(2-morpholin-4-ylethyl)-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 19461514
N-(3-morpholin-4-ylpropyl)-5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]furan-2-carboxamide
CID 21047764
5-[[(3-methylphenyl)methyl-propan-2-ylamino]methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
CID 3273528
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (CID 19452680) is 5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is Cc1ccc(C)c(OCc2ccc(C(=O)NCCCN3CCOCC3)o2)c1.
What is the InChIKey of 5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The InChIKey is ICGPBALZJBNXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-16-4-5-17(2)20(14-16)26-15-18-6-7-19(27-18)21(24)22-8-3-9-23-10-12-25-13-11-23/h4-7,14H,3,8-13,15H2,1-2H3,(H,22,24).
What are the key properties of 5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylphenoxy)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 19452680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).