N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide

C15H22N2O3 — CID 93452343

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C15H22N2O3/c1-19-12-8-5-9-13(20-2)14(12)15(18)17-11-7-4-3-6-10(11)16/h5,8-11H,3-4,6-7,16H2,1-2H3,(H,17,18)/t10-,11-/m1/s1
InChIKeyMQYDKQISMXZYAY-GHMZBOCLSA-N
MW278.35 g/mol
LogP1.70
Rot. Bonds4

About N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide

N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide (PubChem CID 93452343) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
PubChem CID93452343
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)N[C@@H]1CCCC[C@H]1N
InChIInChI=1S/C15H22N2O3/c1-19-12-8-5-9-13(20-2)14(12)15(18)17-11-7-4-3-6-10(11)16/h5,8-11H,3-4,6-7,16H2,1-2H3,(H,17,18)/t10-,11-/m1/s1
InChIKeyMQYDKQISMXZYAY-GHMZBOCLSA-N
XLogP1.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide
CID 118308174
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
N-(2-aminocyclohexyl)-2-hydroxy-3-methoxybenzamide
CID 55149455
N-[(1R,2R)-2-hydroxycyclohexyl]-2,6-dimethoxybenzamide
CID 104928008
N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide
CID 63257686
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
N-(2-aminocyclohexyl)-2,6-dichlorobenzamide
CID 54905013
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-6-methoxybenzamide
CID 106358693
1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
CID 63258521

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide (CID 93452343) is N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)N[C@@H]1CCCC[C@H]1N.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide?
The InChIKey is MQYDKQISMXZYAY-GHMZBOCLSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-12-8-5-9-13(20-2)14(12)15(18)17-11-7-4-3-6-10(11)16/h5,8-11H,3-4,6-7,16H2,1-2H3,(H,17,18)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide?
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 93452343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).