N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide

C21H25N3O — CID 60572836

IUPACN-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide
SMILESCN(CC(=O)N(C)C1(C#N)CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C21H25N3O/c1-23(19-12-8-10-17-9-4-5-11-18(17)19)15-20(25)24(2)21(16-22)13-6-3-7-14-21/h4-5,8-12H,3,6-7,13-15H2,1-2H3
InChIKeyXUMMFYZUNIOXLE-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.96
Rot. Bonds4

About N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide

N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide (PubChem CID 60572836) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide
PubChem CID60572836
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC NameN-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide
SMILESCN(CC(=O)N(C)C1(C#N)CCCCC1)c1cccc2ccccc12
InChIInChI=1S/C21H25N3O/c1-23(19-12-8-10-17-9-4-5-11-18(17)19)15-20(25)24(2)21(16-22)13-6-3-7-14-21/h4-5,8-12H,3,6-7,13-15H2,1-2H3
InChIKeyXUMMFYZUNIOXLE-UHFFFAOYSA-N
XLogP3.96
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyanocyclohexyl)-N-methyl-2-(N,3,5-trimethylanilino)acetamide
CID 52689443
N,N-diethyl-2-[methyl(naphthalen-1-yl)amino]acetamide
CID 60570383
N-(1-cyanocyclohexyl)-2-[ethyl-[(2-methylphenyl)methyl]amino]-N-methylacetamide
CID 55648838
1-(azepan-1-yl)-2-[methyl(naphthalen-1-yl)amino]ethanone
CID 60572838
N-(1-cyanocyclobutyl)-3-hydroxy-N-methyl-3-phenylbutanamide
CID 110025058
N-(1-cyanocyclohexyl)-N-methyl-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 31098743
N-(2-cyanoethyl)-2-[methyl(naphthalen-1-yl)amino]-N-phenylacetamide
CID 60570475
N-(1-cyanocyclohexyl)-2-[2-(2-fluorophenoxy)ethyl-methylamino]-N-methylacetamide
CID 25496922
N-(1-cyanocyclohexyl)-N-methyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 18081751
[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-[(1S)-1-phenylethyl]azanium
CID 9248524
benzhydryl-[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylazanium
CID 9494211
2-[benzyl-(1-methoxy-2-methylpropan-2-yl)amino]-N-(1-cyanocyclohexyl)-N-methylacetamide
CID 75445714

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide (CID 60572836) is N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide is CN(CC(=O)N(C)C1(C#N)CCCCC1)c1cccc2ccccc12.
What is the InChIKey of N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide?
The InChIKey is XUMMFYZUNIOXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-23(19-12-8-10-17-9-4-5-11-18(17)19)15-20(25)24(2)21(16-22)13-6-3-7-14-21/h4-5,8-12H,3,6-7,13-15H2,1-2H3.
What are the key properties of N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide?
N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide has a molecular weight of 335.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-N-methyl-2-[methyl(naphthalen-1-yl)amino]acetamide is sourced from PubChem (CID 60572836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).