N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide

C20H22FN3O — CID 18126857

IUPACN-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCc1ccccc1CN(C)CC(=O)N(CCC#N)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c1-16-6-3-4-7-17(16)14-23(2)15-20(25)24(13-5-12-22)19-10-8-18(21)9-11-19/h3-4,6-11H,5,13-15H2,1-2H3
InChIKeyMATNNZBRRRGTRI-UHFFFAOYSA-N
MW339.41 g/mol
LogP3.51
Rot. Bonds7

About N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide

N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide (PubChem CID 18126857) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
PubChem CID18126857
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCc1ccccc1CN(C)CC(=O)N(CCC#N)c1ccc(F)cc1
InChIInChI=1S/C20H22FN3O/c1-16-6-3-4-7-17(16)14-23(2)15-20(25)24(13-5-12-22)19-10-8-18(21)9-11-19/h3-4,6-11H,5,13-15H2,1-2H3
InChIKeyMATNNZBRRRGTRI-UHFFFAOYSA-N
XLogP3.51
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60690747
N-(2-cyanoethyl)-2-(4-fluorophenyl)-N-phenylacetamide
CID 24710774
N-(2-cyanoethyl)-2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-N-phenylacetamide
CID 24565615
2-[(4-bromothiophen-2-yl)methyl-methylamino]-N-(2-cyanoethyl)-N-phenylacetamide
CID 55739001
N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 24534552
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-(4-fluorophenyl)acetate
CID 16524094
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60691148
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696457
N-(2-cyanoethyl)-N-(3,4-dimethylphenyl)-2-[3-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]propyl-methylamino]acetamide
CID 56571325
N-(2-cyanoethyl)-N-(4-ethoxyphenyl)-2-(N-ethyl-4-fluoroanilino)acetamide
CID 55446331
N-[(4-fluorophenyl)methyl]-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964387
2-[[2-[N-(2-cyanoethyl)-2-methoxyanilino]-2-oxoethyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 9253601

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide (CID 18126857) is N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide is Cc1ccccc1CN(C)CC(=O)N(CCC#N)c1ccc(F)cc1.
What is the InChIKey of N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
The InChIKey is MATNNZBRRRGTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c1-16-6-3-4-7-17(16)14-23(2)15-20(25)24(13-5-12-22)19-10-8-18(21)9-11-19/h3-4,6-11H,5,13-15H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide?
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide has a molecular weight of 339.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 18126857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).