N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide

C17H24ClNO — CID 102638215

IUPACN-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N(C)C2CCCCC2Cl)c1
InChIInChI=1S/C17H24ClNO/c1-13-6-5-7-14(12-13)10-11-17(20)19(2)16-9-4-3-8-15(16)18/h5-7,12,15-16H,3-4,8-11H2,1-2H3
InChIKeyHRVKOADCVNVENJ-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.94
Rot. Bonds4

About N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide

N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide (PubChem CID 102638215) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide
PubChem CID102638215
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC NameN-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)N(C)C2CCCCC2Cl)c1
InChIInChI=1S/C17H24ClNO/c1-13-6-5-7-14(12-13)10-11-17(20)19(2)16-9-4-3-8-15(16)18/h5-7,12,15-16H,3-4,8-11H2,1-2H3
InChIKeyHRVKOADCVNVENJ-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-3-(3-methylphenyl)propanamide
CID 62366416
N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 102635327
N-methyl-3-(3-methylphenyl)-N-propan-2-ylpropanamide
CID 78844007
N,N-diethyl-3-(3-methylphenyl)propanamide
CID 60701900
3-(3-bromophenyl)-N-cyclohexyl-N-methylpropanamide
CID 112760384
N-cyclopropyl-3-(3-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 78851901
N-ethyl-3-(3-methylphenyl)-N-piperidin-4-ylpropanamide
CID 62365720
N-(2-chlorocyclohexyl)-2-(2-fluorophenyl)-N-methylacetamide
CID 102638052
N-[[1-(aminomethyl)cyclopropyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 115272703
N-methyl-3-(3-methylphenyl)-N-(2-piperidin-4-ylethyl)propanamide
CID 62366566
N-cyclopropyl-N-methyl-2-[2-(3-methylphenyl)ethylamino]acetamide
CID 62313193
N-(2-chlorocyclohexyl)-N,6-dimethylpyridine-2-carboxamide
CID 102637885

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide (CID 102638215) is N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)N(C)C2CCCCC2Cl)c1.
What is the InChIKey of N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide?
The InChIKey is HRVKOADCVNVENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c1-13-6-5-7-14(12-13)10-11-17(20)19(2)16-9-4-3-8-15(16)18/h5-7,12,15-16H,3-4,8-11H2,1-2H3.
What are the key properties of N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide?
N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide has a molecular weight of 293.84 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclohexyl)-N-methyl-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 102638215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).