N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide

C16H24N2O2 — CID 102639186

IUPACN-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(CC(=O)N(C)C2CCCCC2N)c1
InChIInChI=1S/C16H24N2O2/c1-18(15-9-4-3-8-14(15)17)16(19)11-12-6-5-7-13(10-12)20-2/h5-7,10,14-15H,3-4,8-9,11,17H2,1-2H3
InChIKeyBLURJEHKHJMYQG-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.97
Rot. Bonds4

About N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide

N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide (PubChem CID 102639186) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
PubChem CID102639186
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide
SMILESCOc1cccc(CC(=O)N(C)C2CCCCC2N)c1
InChIInChI=1S/C16H24N2O2/c1-18(15-9-4-3-8-14(15)17)16(19)11-12-6-5-7-13(10-12)20-2/h5-7,10,14-15H,3-4,8-9,11,17H2,1-2H3
InChIKeyBLURJEHKHJMYQG-UHFFFAOYSA-N
XLogP1.97
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(3-methoxyphenyl)methyl]-2-N-methylcyclohexane-1,2-diamine
CID 61420564
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 43596031
N-(2-aminocyclohexyl)-N-methyl-2-phenoxyacetamide
CID 102638826
N-(2-aminocyclohexyl)-2,4-dimethoxy-N-methylbenzamide
CID 102638864
1-[2-(aminomethyl)cyclohexyl]-2-(3-methoxyphenyl)ethanone
CID 116584559
N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 16618770
2-[(3-methoxyphenyl)methoxy]cyclohexan-1-amine
CID 55036871
N-(2-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885408
1-cyclohexyl-3-(3-methoxyphenyl)propan-2-one
CID 61077701
2-[(3-methoxyphenyl)methoxy]cycloheptan-1-amine
CID 62110928
(3-methoxyphenyl)methyl 2-amino-1-methylcyclohexane-1-carboxylate
CID 83216143
(3-methoxyphenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82762798

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide (CID 102639186) is N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide is COc1cccc(CC(=O)N(C)C2CCCCC2N)c1.
What is the InChIKey of N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide?
The InChIKey is BLURJEHKHJMYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(15-9-4-3-8-14(15)17)16(19)11-12-6-5-7-13(10-12)20-2/h5-7,10,14-15H,3-4,8-9,11,17H2,1-2H3.
What are the key properties of N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide?
N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide has a molecular weight of 276.38 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-2-(3-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 102639186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).