N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide

C25H32ClN3O2 — CID 67810974

IUPACN-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide
SMILESCNCC(CC(N)=O)c1ccc(C2CCC(N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C25H32ClN3O2/c1-28-16-21(15-24(27)30)19-5-3-17(4-6-19)18-9-13-23(14-10-18)29(2)25(31)20-7-11-22(26)12-8-20/h3-8,11-12,18,21,23,28H,9-10,13-16H2,1-2H3,(H2,27,30)
InChIKeyMOFTVVKVBKBSML-UHFFFAOYSA-N
MW442.00 g/mol
LogP4.32
Rot. Bonds8

About N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide

N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide (PubChem CID 67810974) has the molecular formula C25H32ClN3O2 and a molecular weight of 442.00 g/mol. Its IUPAC name is N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide.

Molecular Properties

Compound NameN-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide
PubChem CID67810974
Molecular FormulaC25H32ClN3O2
Molecular Weight442.00 g/mol
Exact Mass441.22
IUPAC NameN-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide
SMILESCNCC(CC(N)=O)c1ccc(C2CCC(N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1
InChIInChI=1S/C25H32ClN3O2/c1-28-16-21(15-24(27)30)19-5-3-17(4-6-19)18-9-13-23(14-10-18)29(2)25(31)20-7-11-22(26)12-8-20/h3-8,11-12,18,21,23,28H,9-10,13-16H2,1-2H3,(H2,27,30)
InChIKeyMOFTVVKVBKBSML-UHFFFAOYSA-N
XLogP4.32
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.00
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide with MolForge

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Related Compounds

4-chloro-N-[4-[4-[1-[2-hydroxyethyl(methyl)amino]ethyl]phenyl]cyclohexyl]-N-methylbenzamide
CID 57138521
4-chloro-N-methyl-N-(4-phenylcyclohexyl)benzamide
CID 19381387
N-[4-[4-[(2-aminoacetyl)amino]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide
CID 75454393
N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
CID 79121715
4-chloro-N-[4-[4-[[[(2R)-2,3-dihydroxypropyl]-methylamino]methyl]phenyl]cyclohexyl]-N-methylbenzamide
CID 54300037
4-chloro-N-[4-[4-[[3-cyanopropyl(methyl)amino]methyl]phenyl]cyclohexyl]-N-methylbenzamide
CID 22076296
3-[[4-[4-[(4-chlorobenzoyl)-methylamino]cyclohexyl]phenyl]methyl-methylamino]propyl acetate
CID 54152727
(2R,8aR)-N-[4-[4-[(4-chlorobenzoyl)-methylamino]cyclohexyl]phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
CID 98292434
(2S,8aS)-N-[4-[4-[(4-chlorobenzoyl)-methylamino]cyclohexyl]phenyl]-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
CID 98878065
4-chloro-N-methyl-N-[4-[4-(3-morpholin-4-ylpropoxy)phenyl]cyclohexyl]benzamide
CID 75454377
4-chloro-N-[4-[4-(chloromethyl)phenyl]cyclohexyl]-N-propan-2-ylbenzamide
CID 19381397
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-chloro-N-methylbenzamide
CID 61232970

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide?
The IUPAC name of N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide (CID 67810974) is N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide.
What is the SMILES notation for N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide?
The canonical SMILES for N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide is CNCC(CC(N)=O)c1ccc(C2CCC(N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1.
What is the InChIKey of N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide?
The InChIKey is MOFTVVKVBKBSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O2/c1-28-16-21(15-24(27)30)19-5-3-17(4-6-19)18-9-13-23(14-10-18)29(2)25(31)20-7-11-22(26)12-8-20/h3-8,11-12,18,21,23,28H,9-10,13-16H2,1-2H3,(H2,27,30).
What are the key properties of N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide?
N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide has a molecular weight of 442.00 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[4-amino-1-(methylamino)-4-oxobutan-2-yl]phenyl]cyclohexyl]-4-chloro-N-methylbenzamide is sourced from PubChem (CID 67810974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).