N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide

C17H23N5O3 — CID 51087127

IUPACN-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C)CC(=O)N(C)CCC#N)c1
InChIInChI=1S/C17H23N5O3/c1-13(23)19-14-6-4-7-15(10-14)20-16(24)11-21(2)12-17(25)22(3)9-5-8-18/h4,6-7,10H,5,9,11-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeySKWDXYVMBPTURV-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.89
Rot. Bonds8

About N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide

N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 51087127) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID51087127
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)CN(C)CC(=O)N(C)CCC#N)c1
InChIInChI=1S/C17H23N5O3/c1-13(23)19-14-6-4-7-15(10-14)20-16(24)11-21(2)12-17(25)22(3)9-5-8-18/h4,6-7,10H,5,9,11-12H2,1-3H3,(H,19,23)(H,20,24)
InChIKeySKWDXYVMBPTURV-UHFFFAOYSA-N
XLogP0.89
TPSA105.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-chlorophenyl)acetamide
CID 60570053
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 17431317
N-(3-acetamidophenyl)-2-[butyl(methyl)amino]acetamide
CID 27068519
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696496
2-[3-cyanopropyl(methyl)amino]-N-(3,4-dichlorophenyl)acetamide
CID 17415308
2-[[2-[2-cyanopropan-2-yl(methyl)amino]-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 8846807
2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-phenylacetamide
CID 86979758
2-[2-cyanoethyl(methyl)amino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 78821963
2-[[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8555605
2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243399
N-[4-(cyanomethyl)phenyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9041614
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60690747

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide (CID 51087127) is N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide is CC(=O)Nc1cccc(NC(=O)CN(C)CC(=O)N(C)CCC#N)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is SKWDXYVMBPTURV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-13(23)19-14-6-4-7-15(10-14)20-16(24)11-21(2)12-17(25)22(3)9-5-8-18/h4,6-7,10H,5,9,11-12H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide?
N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 345.40 g/mol, XLogP of 0.89, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 51087127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).