N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride

C14H21ClN2O3 — CID 118308159

IUPACN-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
SMILESCOc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1N.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-11-7-4-8-12(19-2)13(11)14(17)16-10-6-3-5-9(10)15;/h4,7-10H,3,5-6,15H2,1-2H3,(H,16,17);1H/t9-,10-;/m0./s1
InChIKeyYAOWWPRAQPBOEQ-IYPAPVHQSA-N
MW300.79 g/mol
LogP1.74
Rot. Bonds4

About N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride

N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride (PubChem CID 118308159) has the molecular formula C14H21ClN2O3 and a molecular weight of 300.79 g/mol. Its IUPAC name is N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
PubChem CID118308159
Molecular FormulaC14H21ClN2O3
Molecular Weight300.79 g/mol
Exact Mass300.12
IUPAC NameN-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
SMILESCOc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1N.Cl
InChIInChI=1S/C14H20N2O3.ClH/c1-18-11-7-4-8-12(19-2)13(11)14(17)16-10-6-3-5-9(10)15;/h4,7-10H,3,5-6,15H2,1-2H3,(H,16,17);1H/t9-,10-;/m0./s1
InChIKeyYAOWWPRAQPBOEQ-IYPAPVHQSA-N
XLogP1.74
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.74
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-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
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-cyanocyclopentyl)-2,6-dimethoxybenzamide
CID 62960890
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride (CID 118308159) is N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride is COc1cccc(OC)c1C(=O)N[C@H]1CCC[C@@H]1N.Cl.
What is the InChIKey of N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride?
The InChIKey is YAOWWPRAQPBOEQ-IYPAPVHQSA-N. The full InChI is InChI=1S/C14H20N2O3.ClH/c1-18-11-7-4-8-12(19-2)13(11)14(17)16-10-6-3-5-9(10)15;/h4,7-10H,3,5-6,15H2,1-2H3,(H,16,17);1H/t9-,10-;/m0./s1.
What are the key properties of N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride?
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride has a molecular weight of 300.79 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 118308159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).