2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

C20H24N4O3 — CID 43054288

IUPAC2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1oc(C)c(C)c1C#N
InChIInChI=1S/C20H24N4O3/c1-12-7-6-8-13(2)19(12)22-17(25)10-24(5)11-18(26)23-20-16(9-21)14(3)15(4)27-20/h6-8H,10-11H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyBWVUAIJARJGHCC-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.89
Rot. Bonds6

About 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide

2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 43054288) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
PubChem CID43054288
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1oc(C)c(C)c1C#N
InChIInChI=1S/C20H24N4O3/c1-12-7-6-8-13(2)19(12)22-17(25)10-24(5)11-18(26)23-20-16(9-21)14(3)15(4)27-20/h6-8H,10-11H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyBWVUAIJARJGHCC-UHFFFAOYSA-N
XLogP2.89
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide with MolForge

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Related Compounds

N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 16593722
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]acetamide
CID 18136161
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(2-hydroxycyclopentyl)methyl-methylamino]acetamide
CID 109398195
2-(benzenesulfonyl)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 9458920
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylacetamide
CID 108740257
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61011895
2-(benzhydrylamino)-N-(3-cyano-4,5-dimethylfuran-2-yl)acetamide
CID 42126507
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 108762849
N-(3-cyano-4,5-dimethylfuran-2-yl)-2-naphthalen-1-ylsulfanylacetamide
CID 9458317
methyl N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]acetyl]carbamate
CID 9221932
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]amino]acetic acid
CID 43465994
2-[[2-[(3-cyano-1-phenyl-4,5,6,7-tetrahydroindol-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 36951138

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide (CID 43054288) is 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1oc(C)c(C)c1C#N.
What is the InChIKey of 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is BWVUAIJARJGHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12-7-6-8-13(2)19(12)22-17(25)10-24(5)11-18(26)23-20-16(9-21)14(3)15(4)27-20/h6-8H,10-11H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide?
2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3-cyano-4,5-dimethylfuran-2-yl)amino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 43054288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).