5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide

C17H21NO4 — CID 110902991

IUPAC5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NCC(C)O)o2)c(C)c1
InChIInChI=1S/C17H21NO4/c1-11-4-6-15(12(2)8-11)21-10-14-5-7-16(22-14)17(20)18-9-13(3)19/h4-8,13,19H,9-10H2,1-3H3,(H,18,20)
InChIKeyVIPZDLQVOGIWTQ-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.59
Rot. Bonds6

About 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide

5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide (PubChem CID 110902991) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
PubChem CID110902991
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NCC(C)O)o2)c(C)c1
InChIInChI=1S/C17H21NO4/c1-11-4-6-15(12(2)8-11)21-10-14-5-7-16(22-14)17(20)18-9-13(3)19/h4-8,13,19H,9-10H2,1-3H3,(H,18,20)
InChIKeyVIPZDLQVOGIWTQ-UHFFFAOYSA-N
XLogP2.59
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 47069838
(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119244528
5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55996476
N-[3-(dimethylamino)-2-hydroxypropyl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 110281214
2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanediamide
CID 56798552
5-[(2,5-dimethylphenoxy)methyl]-N-[2-(4-fluorophenyl)propyl]furan-2-carboxamide
CID 110279457
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 55997594
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
4-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230206
5-[(2,4-dimethylphenoxy)methyl]-N-(2,5-dimethylpyrazol-3-yl)furan-2-carboxamide
CID 47070392
N-butyl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452808
5-[(2,4-dimethylphenoxy)methyl]-N-(5-fluoro-2-pyridinyl)furan-2-carboxamide
CID 52886151

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide?
The IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide (CID 110902991) is 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)NCC(C)O)o2)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide?
The InChIKey is VIPZDLQVOGIWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-11-4-6-15(12(2)8-11)21-10-14-5-7-16(22-14)17(20)18-9-13(3)19/h4-8,13,19H,9-10H2,1-3H3,(H,18,20).
What are the key properties of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide?
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide is sourced from PubChem (CID 110902991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).