N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide

C17H20N2O4 — CID 47069838

IUPACN-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NC(C)C(N)=O)o2)c(C)c1
InChIInChI=1S/C17H20N2O4/c1-10-4-6-14(11(2)8-10)22-9-13-5-7-15(23-13)17(21)19-12(3)16(18)20/h4-8,12H,9H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeyQZTCIIYAYTYROB-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.08
Rot. Bonds6

About N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide

N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide (PubChem CID 47069838) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
PubChem CID47069838
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
SMILESCc1ccc(OCc2ccc(C(=O)NC(C)C(N)=O)o2)c(C)c1
InChIInChI=1S/C17H20N2O4/c1-10-4-6-14(11(2)8-10)22-9-13-5-7-15(23-13)17(21)19-12(3)16(18)20/h4-8,12H,9H2,1-3H3,(H2,18,20)(H,19,21)
InChIKeyQZTCIIYAYTYROB-UHFFFAOYSA-N
XLogP2.08
TPSA94.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanediamide
CID 56798552
(2R)-2-[[5-[(2,4-dimethylphenoxy)methyl]furan-2-carbonyl]amino]propanoic acid
CID 119244528
5-[(2,4-dimethylphenoxy)methyl]-N-(2-hydroxypropyl)furan-2-carboxamide
CID 110902991
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide
CID 55997594
N-butan-2-yl-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19452717
5-[(2,4-dimethylphenoxy)methyl]-N-[[4-(methoxymethyl)phenyl]methyl]furan-2-carboxamide
CID 55996476
N-[1-[bis(prop-2-enyl)amino]-1-oxopropan-2-yl]-5-[(2,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 110280110
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
5-[(2,4-dimethylphenoxy)methyl]-N-(5-fluoro-2-pyridinyl)furan-2-carboxamide
CID 52886151
[5-[(2,4-dimethylphenoxy)methyl]furan-2-yl]methanamine
CID 62452413
5-[(2,4-dimethylphenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60566843

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide (CID 47069838) is N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide is Cc1ccc(OCc2ccc(C(=O)NC(C)C(N)=O)o2)c(C)c1.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is QZTCIIYAYTYROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-4-6-14(11(2)8-10)22-9-13-5-7-15(23-13)17(21)19-12(3)16(18)20/h4-8,12H,9H2,1-3H3,(H2,18,20)(H,19,21).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-5-[(2,4-dimethylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 47069838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).