N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide

C19H24N4O2 — CID 87013821

IUPACN-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
SMILESCc1cc(CN(C)CC(=O)N(CCC#N)c2cccc(C)c2C)no1
InChIInChI=1S/C19H24N4O2/c1-14-7-5-8-18(16(14)3)23(10-6-9-20)19(24)13-22(4)12-17-11-15(2)25-21-17/h5,7-8,11H,6,10,12-13H2,1-4H3
InChIKeyHQBQFFYJDVYNGO-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.98
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide

N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide (PubChem CID 87013821) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
PubChem CID87013821
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide
SMILESCc1cc(CN(C)CC(=O)N(CCC#N)c2cccc(C)c2C)no1
InChIInChI=1S/C19H24N4O2/c1-14-7-5-8-18(16(14)3)23(10-6-9-20)19(24)13-22(4)12-17-11-15(2)25-21-17/h5,7-8,11H,6,10,12-13H2,1-4H3
InChIKeyHQBQFFYJDVYNGO-UHFFFAOYSA-N
XLogP2.98
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[1-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 87012590
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 86894509
N-(2-cyanoethyl)-2-[(4-cyanophenyl)methyl-propan-2-ylamino]-N-(2,3-dimethylphenyl)acetamide
CID 86869610
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 110897569
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 18126857
N-(2-cyanoethyl)-2-(2-cyanophenoxy)-N-(2,3-dimethylphenyl)acetamide
CID 86978990
2-[4-[2-[N-(2-cyanoethyl)-2,3-dimethylanilino]-2-oxoethyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 87013547
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,4-diazepan-1-yl]acetamide
CID 112840505
1-[2-[N-(2-cyanoethyl)-2,3-dimethylanilino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 87013528
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60690747
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-(3-pyrrolidin-1-ylpiperidin-1-yl)acetamide
CID 87014450
2-[[2-[N-(2-cyanoethyl)-3,5-dimethylanilino]-2-oxoethyl]-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 27243399

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide (CID 87013821) is N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide is Cc1cc(CN(C)CC(=O)N(CCC#N)c2cccc(C)c2C)no1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?
The InChIKey is HQBQFFYJDVYNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-7-5-8-18(16(14)3)23(10-6-9-20)19(24)13-22(4)12-17-11-15(2)25-21-17/h5,7-8,11H,6,10,12-13H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide?
N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2,3-dimethylphenyl)-2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]acetamide is sourced from PubChem (CID 87013821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).