5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide

C17H21NO3 — CID 19467228

IUPAC5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)NCC(C)C)o2)c1
InChIInChI=1S/C17H21NO3/c1-12(2)10-18-17(19)16-8-7-15(21-16)11-20-14-6-4-5-13(3)9-14/h4-9,12H,10-11H2,1-3H3,(H,18,19)
InChIKeyMKMAGXLERXLFMG-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.55
Rot. Bonds6

About 5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide

5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 19467228) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID19467228
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCc1cccc(OCc2ccc(C(=O)NCC(C)C)o2)c1
InChIInChI=1S/C17H21NO3/c1-12(2)10-18-17(19)16-8-7-15(21-16)11-20-14-6-4-5-13(3)9-14/h4-9,12H,10-11H2,1-3H3,(H,18,19)
InChIKeyMKMAGXLERXLFMG-UHFFFAOYSA-N
XLogP3.55
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
N-(2,6-dimethylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19465597
5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19417296
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
5-[(2-chloro-6-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19459272
N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412877
N-(2-methylpropyl)-5-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]furan-2-carboxamide
CID 19455453
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 717010
5-[[1-(3-methylphenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 46058971
5-[(3-methylphenoxy)methyl]-N-(2-phenylsulfanylphenyl)furan-2-carboxamide
CID 19465579
5-[(3,5-dimethylphenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19463410
N-(2-fluoro-5-methylphenyl)-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467243

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide (CID 19467228) is 5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide is Cc1cccc(OCc2ccc(C(=O)NCC(C)C)o2)c1.
What is the InChIKey of 5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is MKMAGXLERXLFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-12(2)10-18-17(19)16-8-7-15(21-16)11-20-14-6-4-5-13(3)9-14/h4-9,12H,10-11H2,1-3H3,(H,18,19).
What are the key properties of 5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 19467228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).