N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide

C15H22N2O3 — CID 93452159

IUPACN-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H]2CCCC[C@H]2N)c1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-9-5-6-10(14(13)20-2)15(18)17-12-8-4-3-7-11(12)16/h5-6,9,11-12H,3-4,7-8,16H2,1-2H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyOECCQBHEDMPLAR-VXGBXAGGSA-N
MW278.35 g/mol
LogP1.70
Rot. Bonds4

About N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide

N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide (PubChem CID 93452159) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
PubChem CID93452159
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
SMILESCOc1cccc(C(=O)N[C@@H]2CCCC[C@H]2N)c1OC
InChIInChI=1S/C15H22N2O3/c1-19-13-9-5-6-10(14(13)20-2)15(18)17-12-8-4-3-7-11(12)16/h5-6,9,11-12H,3-4,7-8,16H2,1-2H3,(H,17,18)/t11-,12-/m1/s1
InChIKeyOECCQBHEDMPLAR-VXGBXAGGSA-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-(2-aminocyclohexyl)-2-hydroxy-3-methoxybenzamide
CID 55149455
N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide
CID 63257686
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
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
2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831
2,3-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653208
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447
N-(2-aminocycloheptyl)-1H-indole-4-carboxamide
CID 63257895
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methoxybenzamide
CID 106358697

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide (CID 93452159) is N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide is COc1cccc(C(=O)N[C@@H]2CCCC[C@H]2N)c1OC.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide?
The InChIKey is OECCQBHEDMPLAR-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-19-13-9-5-6-10(14(13)20-2)15(18)17-12-8-4-3-7-11(12)16/h5-6,9,11-12H,3-4,7-8,16H2,1-2H3,(H,17,18)/t11-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide?
N-[(1R,2R)-2-aminocyclohexyl]-2,3-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]-2,3-dimethoxybenzamide is sourced from PubChem (CID 93452159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).