2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide

C17H22N2O3 — CID 54818949

IUPAC2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1cccc(NC(=O)CNCc2ccco2)c1
InChIInChI=1S/C17H22N2O3/c1-13(2)12-22-15-6-3-5-14(9-15)19-17(20)11-18-10-16-7-4-8-21-16/h3-9,13,18H,10-12H2,1-2H3,(H,19,20)
InChIKeySTGYKKLIFLCUPS-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.04
Rot. Bonds8

About 2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide

2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide (PubChem CID 54818949) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide
PubChem CID54818949
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1cccc(NC(=O)CNCc2ccco2)c1
InChIInChI=1S/C17H22N2O3/c1-13(2)12-22-15-6-3-5-14(9-15)19-17(20)11-18-10-16-7-4-8-21-16/h3-9,13,18H,10-12H2,1-2H3,(H,19,20)
InChIKeySTGYKKLIFLCUPS-UHFFFAOYSA-N
XLogP3.04
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylamino)-N-(3-methoxyphenyl)acetamide
CID 1133386
N-(furan-2-ylmethyl)-4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]benzamide
CID 54843077
N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958455
N-[3-(2-methylpropoxy)phenyl]-2-(prop-2-enylamino)acetamide
CID 54818464
N-(furan-2-ylmethyl)-1-[3-(2-methylpropoxy)phenyl]methanamine
CID 39360428
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
ethyl 3-[3-(2-methylpropoxy)anilino]-3-oxopropanoate
CID 17097553

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide (CID 54818949) is 2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide is CC(C)COc1cccc(NC(=O)CNCc2ccco2)c1.
What is the InChIKey of 2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is STGYKKLIFLCUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13(2)12-22-15-6-3-5-14(9-15)19-17(20)11-18-10-16-7-4-8-21-16/h3-9,13,18H,10-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylamino)-N-[3-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54818949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).