2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide

C15H18N2O3 — CID 61422064

IUPAC2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccoc1)C(=O)COc1ccc(CN)cc1
InChIInChI=1S/C15H18N2O3/c1-17(9-13-6-7-19-10-13)15(18)11-20-14-4-2-12(8-16)3-5-14/h2-7,10H,8-9,11,16H2,1H3
InChIKeyDINKBGVIQHUXOW-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.78
Rot. Bonds6

About 2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide

2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide (PubChem CID 61422064) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide
PubChem CID61422064
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ccoc1)C(=O)COc1ccc(CN)cc1
InChIInChI=1S/C15H18N2O3/c1-17(9-13-6-7-19-10-13)15(18)11-20-14-4-2-12(8-16)3-5-14/h2-7,10H,8-9,11,16H2,1H3
InChIKeyDINKBGVIQHUXOW-UHFFFAOYSA-N
XLogP1.78
TPSA68.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(furan-3-ylmethyl)-N-methylacetamide
CID 61216289
2-[[2-[4-(aminomethyl)phenoxy]acetyl]-methylamino]acetamide
CID 43373935
2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid
CID 122561799
N-[[4-(aminomethyl)phenyl]methyl]-2-methoxy-N-methylacetamide
CID 61278778
2-(4-aminophenoxy)-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 10085503
N-(furan-3-ylmethyl)-N,3,3-trimethylbutanamide
CID 110868951
N-(furan-3-ylmethyl)-N,3-dimethylbutanamide
CID 110868913
N-[(4-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)-N-methylacetamide
CID 78762371
5-chloro-N-(furan-3-ylmethyl)-N-methylpentanamide
CID 61422456
2-[4-(aminomethyl)phenoxy]-N-methyl-N-(oxan-2-ylmethyl)acetamide
CID 61430922
2-(4-chlorophenoxy)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 78801070
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide (CID 61422064) is 2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide is CN(Cc1ccoc1)C(=O)COc1ccc(CN)cc1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide?
The InChIKey is DINKBGVIQHUXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17(9-13-6-7-19-10-13)15(18)11-20-14-4-2-12(8-16)3-5-14/h2-7,10H,8-9,11,16H2,1H3.
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide?
2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide has a molecular weight of 274.32 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-(furan-3-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 61422064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).