N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide

C15H22N2O — CID 93451691

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2N)cc1
InChIInChI=1S/C15H22N2O/c1-11-6-8-12(9-7-11)10-15(18)17-14-5-3-2-4-13(14)16/h6-9,13-14H,2-5,10,16H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyCLSRUZASHPWXBR-ZIAGYGMSSA-N
MW246.35 g/mol
LogP1.92
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide

N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide (PubChem CID 93451691) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
PubChem CID93451691
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2N)cc1
InChIInChI=1S/C15H22N2O/c1-11-6-8-12(9-7-11)10-15(18)17-14-5-3-2-4-13(14)16/h6-9,13-14H,2-5,10,16H2,1H3,(H,17,18)/t13-,14-/m1/s1
InChIKeyCLSRUZASHPWXBR-ZIAGYGMSSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide
CID 93452631
N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
CID 94471268
N-(2-aminocyclopentyl)-2-(4-hydroxyphenyl)acetamide
CID 63251734
N-[2-(hydroxymethyl)cyclopentyl]-2-(4-methylphenyl)acetamide
CID 103751406
N-(2-aminocyclohexyl)-4-methylbenzamide
CID 61037352
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-methylphenyl)acetamide
CID 93452351
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
1-(2-aminocyclohexyl)-3-(4-methylphenyl)urea
CID 55150019
N-(2-aminocyclohexyl)propanamide
CID 61036997
1-(2-aminocyclopentyl)-2-(4-methylphenyl)ethanone
CID 116580212
N-(2-aminocycloheptyl)-2-pyridin-3-ylacetamide
CID 55169173
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide (CID 93451691) is N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2N)cc1.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide?
The InChIKey is CLSRUZASHPWXBR-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-6-8-12(9-7-11)10-15(18)17-14-5-3-2-4-13(14)16/h6-9,13-14H,2-5,10,16H2,1H3,(H,17,18)/t13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide has a molecular weight of 246.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 93451691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).