(2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide

C20H27FN4O2 — CID 40759586

IUPAC(2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)C1(C#N)CCCCC1)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H27FN4O2/c1-15(19(27)25(3)20(14-22)10-5-4-6-11-20)24(2)13-18(26)23-17-9-7-8-16(21)12-17/h7-9,12,15H,4-6,10-11,13H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyGUDWBYLEDQBCOS-OAHLLOKOSA-N
MW374.46 g/mol
LogP2.77
Rot. Bonds6

About (2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide

(2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide (PubChem CID 40759586) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is (2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
PubChem CID40759586
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name(2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
SMILESC[C@H](C(=O)N(C)C1(C#N)CCCCC1)N(C)CC(=O)Nc1cccc(F)c1
InChIInChI=1S/C20H27FN4O2/c1-15(19(27)25(3)20(14-22)10-5-4-6-11-20)24(2)13-18(26)23-17-9-7-8-16(21)12-17/h7-9,12,15H,4-6,10-11,13H2,1-3H3,(H,23,26)/t15-/m1/s1
InChIKeyGUDWBYLEDQBCOS-OAHLLOKOSA-N
XLogP2.77
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide with MolForge

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Related Compounds

2-[[2-(3-chloroanilino)-2-oxoethyl]-methylamino]-N-(1-cyano-4-methylcyclohexyl)-N-methylpropanamide
CID 78870913
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylpropanamide
CID 2658720
(2R)-N-cyclopropyl-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 8676303
(2R)-N-(1-cyanocyclohexyl)-2-[[5-(3-fluoroanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylpropanamide
CID 8972220
(2S)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)propanamide
CID 9262561
N-(3-fluorophenyl)-2-[[(1R)-1-(4-fluorophenyl)ethyl]-methylamino]acetamide
CID 8846327
2-[cyclohexyl(methyl)amino]-N-(3-fluorophenyl)acetamide
CID 4818308
N-(3-fluorophenyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9049384
N-(1-cyanocyclohexyl)-N-methyl-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 18281034
(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 11934112
(2R)-N-(1-adamantylcarbamoyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]propanamide
CID 9348472
N-[(3-fluorophenyl)methyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide
CID 46561832

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The IUPAC name of (2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide (CID 40759586) is (2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for (2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The canonical SMILES for (2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide is C[C@H](C(=O)N(C)C1(C#N)CCCCC1)N(C)CC(=O)Nc1cccc(F)c1.
What is the InChIKey of (2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
The InChIKey is GUDWBYLEDQBCOS-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-15(19(27)25(3)20(14-22)10-5-4-6-11-20)24(2)13-18(26)23-17-9-7-8-16(21)12-17/h7-9,12,15H,4-6,10-11,13H2,1-3H3,(H,23,26)/t15-/m1/s1.
What are the key properties of (2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide?
(2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide has a molecular weight of 374.46 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-cyanocyclohexyl)-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 40759586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).