2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide

C16H20N2O3 — CID 107655743

IUPAC2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(CN)cc1OC(C)C(=O)NCc1ccco1
InChIInChI=1S/C16H20N2O3/c1-11-5-6-13(9-17)8-15(11)21-12(2)16(19)18-10-14-4-3-7-20-14/h3-8,12H,9-10,17H2,1-2H3,(H,18,19)
InChIKeyOJYWQCCHBXZFCI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.13
Rot. Bonds6

About 2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide

2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide (PubChem CID 107655743) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide
PubChem CID107655743
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(CN)cc1OC(C)C(=O)NCc1ccco1
InChIInChI=1S/C16H20N2O3/c1-11-5-6-13(9-17)8-15(11)21-12(2)16(19)18-10-14-4-3-7-20-14/h3-8,12H,9-10,17H2,1-2H3,(H,18,19)
InChIKeyOJYWQCCHBXZFCI-UHFFFAOYSA-N
XLogP2.13
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2-acetamidophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 9116644
2-(2-amino-5-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 62304320
2-[5-(aminomethyl)-2-methylphenoxy]-N-(ethylcarbamoyl)propanamide
CID 107655961
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 19191627
2-(2-bromo-4-methoxyphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 104707302
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
N-[3-(furan-2-yl)propyl]-2-(2-methylphenoxy)propanamide
CID 53283656
2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 53284498
2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 2970667
(2R)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 99954558
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 5-methylfuran-2-carboxylate
CID 29193764

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide (CID 107655743) is 2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide is Cc1ccc(CN)cc1OC(C)C(=O)NCc1ccco1.
What is the InChIKey of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is OJYWQCCHBXZFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-5-6-13(9-17)8-15(11)21-12(2)16(19)18-10-14-4-3-7-20-14/h3-8,12H,9-10,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide?
2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 288.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 107655743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).