N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

C17H21N3O4 — CID 9222820

IUPACN-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H21N3O4/c1-20(11-16(21)18-10-15-4-3-9-24-15)12-17(22)19-13-5-7-14(23-2)8-6-13/h3-9H,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyATENLUZFLVNXRE-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.47
Rot. Bonds8

About N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 9222820) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID9222820
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H21N3O4/c1-20(11-16(21)18-10-15-4-3-9-24-15)12-17(22)19-13-5-7-14(23-2)8-6-13/h3-9H,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyATENLUZFLVNXRE-UHFFFAOYSA-N
XLogP1.47
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-[2-(4-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 9458134
4-[[2-[furan-2-ylmethyl(methyl)amino]acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 9333882
2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 18087125
N-(furan-2-ylmethyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 26517921
N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658290
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9167118
1-N-(furan-2-ylmethyl)-1-N'-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974663
N-(furan-2-ylmethyl)-N'-(4-phenoxyphenyl)propanediamide
CID 108945159
2-[[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-propan-2-ylacetamide
CID 8818117
N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-methylpropyl)-methylamino]acetamide
CID 78957529
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 11957189

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (CID 9222820) is N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is COc1ccc(NC(=O)CN(C)CC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is ATENLUZFLVNXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-20(11-16(21)18-10-15-4-3-9-24-15)12-17(22)19-13-5-7-14(23-2)8-6-13/h3-9H,10-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 331.37 g/mol, XLogP of 1.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 9222820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).