5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide

C19H25NO4 — CID 111663036

IUPAC5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N(C)CC(C)(C)O)o2)c(C)c1
InChIInChI=1S/C19H25NO4/c1-13-6-8-16(14(2)10-13)23-11-15-7-9-17(24-15)18(21)20(5)12-19(3,4)22/h6-10,22H,11-12H2,1-5H3
InChIKeyHMTHMWALIWOHGB-UHFFFAOYSA-N
MW331.41 g/mol
LogP3.32
Rot. Bonds6

About 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide

5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide (PubChem CID 111663036) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
PubChem CID111663036
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)N(C)CC(C)(C)O)o2)c(C)c1
InChIInChI=1S/C19H25NO4/c1-13-6-8-16(14(2)10-13)23-11-15-7-9-17(24-15)18(21)20(5)12-19(3,4)22/h6-10,22H,11-12H2,1-5H3
InChIKeyHMTHMWALIWOHGB-UHFFFAOYSA-N
XLogP3.32
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide
CID 111579452
5-[(2,4-dimethylphenoxy)methyl]-N-methyl-N-piperidin-4-ylfuran-2-carboxamide;hydrochloride
CID 119444065
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
CID 110902991
5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55996476
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413
2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanediamide
CID 56798552
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
4-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230206
N-(cyclopropylmethyl)-N-methyl-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 95748480
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide;hydrochloride
CID 119458931
5-[(2,4-dimethylphenoxy)methyl]-N-(2-methylpiperidin-4-yl)furan-2-carboxamide
CID 120600343

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide (CID 111663036) is 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)N(C)CC(C)(C)O)o2)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide?
The InChIKey is HMTHMWALIWOHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO4/c1-13-6-8-16(14(2)10-13)23-11-15-7-9-17(24-15)18(21)20(5)12-19(3,4)22/h6-10,22H,11-12H2,1-5H3.
What are the key properties of 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide?
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide has a molecular weight of 331.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxy-2-methylpropyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 111663036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).