N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide

C22H21N3O — CID 60570475

IUPACN-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide
SMILESCN(CC(=O)N(CCC#N)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H21N3O/c1-24(21-14-7-10-18-9-5-6-13-20(18)21)17-22(26)25(16-8-15-23)19-11-3-2-4-12-19/h2-7,9-14H,8,16-17H2,1H3
InChIKeyOJSPETFUDBLUAP-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.22
Rot. Bonds6

About N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide

N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide (PubChem CID 60570475) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide
PubChem CID60570475
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC NameN-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide
SMILESCN(CC(=O)N(CCC#N)c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C22H21N3O/c1-24(21-14-7-10-18-9-5-6-13-20(18)21)17-22(26)25(16-8-15-23)19-11-3-2-4-12-19/h2-7,9-14H,8,16-17H2,1H3
InChIKeyOJSPETFUDBLUAP-UHFFFAOYSA-N
XLogP4.22
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl(naphthalen-1-yl)amino]propanenitrile
CID 115230840
N-(2-cyanoethyl)-N-phenylnaphthalene-1-carboxamide
CID 43823022
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
1-(2-cyanoethyl)-3-naphthalen-1-yl-1-phenylurea
CID 20787233
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
N-(2-cyanoethyl)-2-[methyl(1-thiophen-2-ylethyl)amino]-N-phenylacetamide
CID 51271554
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-phenyloctanamide
CID 43085178
N-(2-cyanoethyl)-2-(2-methylquinazolin-4-yl)sulfanyl-N-phenylacetamide
CID 84601919
N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60572836
N-(2-cyanoethyl)-2-(4-methylquinolin-2-yl)sulfanyl-N-phenylacetamide
CID 2116332

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide (CID 60570475) is N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide is CN(CC(=O)N(CCC#N)c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide?
The InChIKey is OJSPETFUDBLUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O/c1-24(21-14-7-10-18-9-5-6-13-20(18)21)17-22(26)25(16-8-15-23)19-11-3-2-4-12-19/h2-7,9-14H,8,16-17H2,1H3.
What are the key properties of N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide?
N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide has a molecular weight of 343.43 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide is sourced from PubChem (CID 60570475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).