N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide

C19H21N3O — CID 112822895

IUPACN-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1C
InChIInChI=1S/C19H21N3O/c1-3-22(13-17-7-5-4-6-15(17)2)14-19(23)21-18-10-8-16(12-20)9-11-18/h4-11H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyNJCLCFOVURZYFJ-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.33
Rot. Bonds6

About N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide

N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide (PubChem CID 112822895) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
PubChem CID112822895
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1C
InChIInChI=1S/C19H21N3O/c1-3-22(13-17-7-5-4-6-15(17)2)14-19(23)21-18-10-8-16(12-20)9-11-18/h4-11H,3,13-14H2,1-2H3,(H,21,23)
InChIKeyNJCLCFOVURZYFJ-UHFFFAOYSA-N
XLogP3.33
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-[ethyl(propyl)amino]acetamide
CID 43268748
N-(4-cyanophenyl)-2-[ethyl(2-methoxyethyl)amino]acetamide
CID 61448468
3-[[2-(4-cyanoanilino)-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62852803
N-(4-cyanophenyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691467
2-[(2-aminophenyl)methyl-ethylamino]-N-phenylacetamide
CID 43459401
2-(diethylamino)-N-(4-methylphenyl)acetamide
CID 26382
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
N-(4-cyanophenyl)pentanamide
CID 2162994
2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]-N-(4-cyanophenyl)acetamide
CID 113164626
N-(4-cyanophenyl)-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 113154098
1-(4-cyanophenyl)-3-(2-ethylphenyl)urea
CID 108991489
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide (CID 112822895) is N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide is CCN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccccc1C.
What is the InChIKey of N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide?
The InChIKey is NJCLCFOVURZYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-3-22(13-17-7-5-4-6-15(17)2)14-19(23)21-18-10-8-16(12-20)9-11-18/h4-11H,3,13-14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide?
N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide has a molecular weight of 307.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 112822895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).