N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide

C21H30FN3O2 — CID 78842179

IUPACN-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1F
InChIInChI=1S/C21H30FN3O2/c1-15-8-10-21(14-23,11-9-15)25(4)20(26)16(2)24(3)13-17-6-7-19(27-5)18(22)12-17/h6-7,12,15-16H,8-11,13H2,1-5H3
InChIKeyGRUANMRPNUDYHN-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.59
Rot. Bonds6

About N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide

N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide (PubChem CID 78842179) has the molecular formula C21H30FN3O2 and a molecular weight of 375.49 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
PubChem CID78842179
Molecular FormulaC21H30FN3O2
Molecular Weight375.49 g/mol
Exact Mass375.23
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1F
InChIInChI=1S/C21H30FN3O2/c1-15-8-10-21(14-23,11-9-15)25(4)20(26)16(2)24(3)13-17-6-7-19(27-5)18(22)12-17/h6-7,12,15-16H,8-11,13H2,1-5H3
InChIKeyGRUANMRPNUDYHN-UHFFFAOYSA-N
XLogP3.59
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide with MolForge

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Related Compounds

N-cyclohexyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795729
3-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]butan-2-one
CID 62023874
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide
CID 78795725
(2S)-N-carbamoyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 8681047
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 18088306
(2S)-2-[(2-amino-2-oxoethyl)-methylamino]-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylpropanamide
CID 94453979
(2R)-N-(3-cyanophenyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432176
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-phenylpropanamide
CID 18191621
methyl 4-[[2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanoylamino]methyl]benzoate
CID 46690122
(2S)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 9432375
(2S)-N-benzhydryl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 9432288
(2R)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-(2,4,6-trimethylphenyl)propanamide
CID 9432531

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide (CID 78842179) is N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide is COc1ccc(CN(C)C(C)C(=O)N(C)C2(C#N)CCC(C)CC2)cc1F.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
The InChIKey is GRUANMRPNUDYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN3O2/c1-15-8-10-21(14-23,11-9-15)25(4)20(26)16(2)24(3)13-17-6-7-19(27-5)18(22)12-17/h6-7,12,15-16H,8-11,13H2,1-5H3.
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide?
N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide has a molecular weight of 375.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-methylpropanamide is sourced from PubChem (CID 78842179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).