N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide

C16H24N2O — CID 94471268

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2N)cc1C
InChIInChI=1S/C16H24N2O/c1-11-7-8-13(9-12(11)2)10-16(19)18-15-6-4-3-5-14(15)17/h7-9,14-15H,3-6,10,17H2,1-2H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyHPEDROXVOSRKPR-HUUCEWRRSA-N
MW260.38 g/mol
LogP2.23
Rot. Bonds3

About N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide

N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 94471268) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
PubChem CID94471268
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2N)cc1C
InChIInChI=1S/C16H24N2O/c1-11-7-8-13(9-12(11)2)10-16(19)18-15-6-4-3-5-14(15)17/h7-9,14-15H,3-6,10,17H2,1-2H3,(H,18,19)/t14-,15-/m1/s1
InChIKeyHPEDROXVOSRKPR-HUUCEWRRSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-N-(2-methylcyclohexyl)acetamide
CID 18157580
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
CID 93451691
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
N-[(2-aminocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 64929808
N-[(1R,2R)-2-aminocyclohexyl]-2-(2-methylphenyl)acetamide
CID 93452351
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide
CID 93452631
N-(2-aminocyclopentyl)-2-(4-hydroxyphenyl)acetamide
CID 63251734
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 11907724
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
N-(2-aminocyclohexyl)-2-(3-nitrophenyl)acetamide
CID 104541060
N-(2-aminocyclohexyl)propanamide
CID 61036997
N-(3-amino-2,2-dimethylcyclobutyl)-2-(3,4-dimethylphenyl)acetamide
CID 114632478

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide (CID 94471268) is N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2N)cc1C.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is HPEDROXVOSRKPR-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H24N2O/c1-11-7-8-13(9-12(11)2)10-16(19)18-15-6-4-3-5-14(15)17/h7-9,14-15H,3-6,10,17H2,1-2H3,(H,18,19)/t14-,15-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide?
N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 260.38 g/mol, XLogP of 2.23, 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 94471268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).