N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide

C15H21ClN2O — CID 79121866

IUPACN-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)cc1)C1CCC(N)CC1
InChIInChI=1S/C15H21ClN2O/c1-18(14-8-6-13(17)7-9-14)15(19)10-11-2-4-12(16)5-3-11/h2-5,13-14H,6-10,17H2,1H3
InChIKeyDSOOCMAZITXGAF-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.61
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide

N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide (PubChem CID 79121866) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
PubChem CID79121866
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1ccc(Cl)cc1)C1CCC(N)CC1
InChIInChI=1S/C15H21ClN2O/c1-18(14-8-6-13(17)7-9-14)15(19)10-11-2-4-12(16)5-3-11/h2-5,13-14H,6-10,17H2,1H3
InChIKeyDSOOCMAZITXGAF-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
2-(4-aminophenyl)-N-cyclopropyl-N-methylacetamide
CID 43264480
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-chlorophenyl)-N-methylacetamide
CID 61232593
N-(4-aminocyclohexyl)-4-chloro-N-methylbenzamide
CID 79121715
2-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-methylacetamide
CID 51238233
2-(4-aminophenyl)-N-cyclobutyl-N-methylacetamide
CID 115739567
N-cyclopropyl-2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-methylacetamide
CID 77001320
2-(4-chlorophenyl)-N-cyclopropyl-N-(2-hydroxyethyl)acetamide
CID 43576750
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
2-(4-carbamothioylphenyl)-N-cyclopentyl-N-methylacetamide
CID 63590526
2-(4-bromo-3-fluorophenyl)-N-cyclopropyl-N-methylacetamide
CID 176515895
N-(4-aminocyclohexyl)-2-(1-benzothiophen-3-yl)-N-methylacetamide;hydrochloride
CID 154578112

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide (CID 79121866) is N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide is CN(C(=O)Cc1ccc(Cl)cc1)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide?
The InChIKey is DSOOCMAZITXGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-18(14-8-6-13(17)7-9-14)15(19)10-11-2-4-12(16)5-3-11/h2-5,13-14H,6-10,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide?
N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide has a molecular weight of 280.80 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-(4-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 79121866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).