N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide

C16H24N2O3 — CID 61037756

IUPACN-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCCCC2N)cc1OC
InChIInChI=1S/C16H24N2O3/c1-20-14-8-7-11(9-15(14)21-2)10-16(19)18-13-6-4-3-5-12(13)17/h7-9,12-13H,3-6,10,17H2,1-2H3,(H,18,19)
InChIKeyQHUUHSNHLIQCJI-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.63
Rot. Bonds5

About N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide

N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 61037756) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID61037756
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC2CCCCC2N)cc1OC
InChIInChI=1S/C16H24N2O3/c1-20-14-8-7-11(9-15(14)21-2)10-16(19)18-13-6-4-3-5-12(13)17/h7-9,12-13H,3-6,10,17H2,1-2H3,(H,18,19)
InChIKeyQHUUHSNHLIQCJI-UHFFFAOYSA-N
XLogP1.63
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R,2R)-2-aminocyclohexyl]-2-(3,4-dimethylphenyl)acetamide
CID 94471268
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766228
N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
N-[2-(aminomethyl)cyclohexyl]-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119609283
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-methylphenyl)acetamide
CID 93451691
N-(2-amino-1-cyclohexylethyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 119590262
3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide
CID 110279159
N-[(1R,2R)-2-aminocyclohexyl]-2-(4-bromophenyl)acetamide
CID 93452631
N-(2-aminocycloheptyl)-3-(4-methoxyphenyl)propanamide
CID 63257730
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide (CID 61037756) is N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NC2CCCCC2N)cc1OC.
What is the InChIKey of N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is QHUUHSNHLIQCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-14-8-7-11(9-15(14)21-2)10-16(19)18-13-6-4-3-5-12(13)17/h7-9,12-13H,3-6,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide?
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 292.38 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 61037756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).