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

C17H21NO4 — CID 717010

IUPAC5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NCC(C)C)o1
InChIInChI=1S/C17H21NO4/c1-12(2)10-18-17(19)16-9-8-13(22-16)11-21-15-7-5-4-6-14(15)20-3/h4-9,12H,10-11H2,1-3H3,(H,18,19)
InChIKeyJMMSOYLHAVSXQA-UHFFFAOYSA-N
MW303.36 g/mol
LogP3.25
Rot. Bonds7

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

5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide (PubChem CID 717010) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
PubChem CID717010
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
SMILESCOc1ccccc1OCc1ccc(C(=O)NCC(C)C)o1
InChIInChI=1S/C17H21NO4/c1-12(2)10-18-17(19)16-9-8-13(22-16)11-21-15-7-5-4-6-14(15)20-3/h4-9,12H,10-11H2,1-3H3,(H,18,19)
InChIKeyJMMSOYLHAVSXQA-UHFFFAOYSA-N
XLogP3.25
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-5-(naphthalen-1-yloxymethyl)furan-2-carboxamide
CID 19412877
propan-2-yl 3-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]propanoate
CID 55788987
N-[2-(ethylamino)-2-oxoethyl]-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 86997976
5-[(2-methoxyphenoxy)methyl]-N-(pyridin-1-ium-3-ylmethyl)furan-2-carboxamide
CID 3660443
5-[(2-methoxyphenoxy)methyl]-N-[(1S)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529733
5-[(2-methoxyphenoxy)methyl]-N-[(1R)-1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 35529730
5-[(3-methylphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19467228
5-[(2-methoxyphenoxy)methyl]-N'-pyrimidin-2-ylfuran-2-carbohydrazide
CID 87015415
N-(1-adamantylmethyl)-5-[(2-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19467608
5-[(2-methoxyphenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]furan-2-carboxamide
CID 87041704
5-[(4-iodophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19417296
5-[(2-methoxyphenoxy)methyl]-N-(3,4,5-trimethoxyphenyl)furan-2-carboxamide
CID 3153929

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide (CID 717010) is 5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide is COc1ccccc1OCc1ccc(C(=O)NCC(C)C)o1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
The InChIKey is JMMSOYLHAVSXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-12(2)10-18-17(19)16-9-8-13(22-16)11-21-15-7-5-4-6-14(15)20-3/h4-9,12H,10-11H2,1-3H3,(H,18,19).
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide?
5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide is sourced from PubChem (CID 717010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).