N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide

C15H22N2O3 — CID 63257686

IUPACN-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCCCC2N)c1O
InChIInChI=1S/C15H22N2O3/c1-20-13-9-5-6-10(14(13)18)15(19)17-12-8-4-2-3-7-11(12)16/h5-6,9,11-12,18H,2-4,7-8,16H2,1H3,(H,17,19)
InChIKeyKXZHEQOVCKJSEU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.79
Rot. Bonds3

About N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide

N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide (PubChem CID 63257686) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide
PubChem CID63257686
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCCCCC2N)c1O
InChIInChI=1S/C15H22N2O3/c1-20-13-9-5-6-10(14(13)18)15(19)17-12-8-4-2-3-7-11(12)16/h5-6,9,11-12,18H,2-4,7-8,16H2,1H3,(H,17,19)
InChIKeyKXZHEQOVCKJSEU-UHFFFAOYSA-N
XLogP1.79
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclohexyl)-2-hydroxy-3-methoxybenzamide
CID 55149455
N-[(1R,2R)-2-aminocyclohexyl]-2,3-dimethoxybenzamide
CID 93452159
N-[(1R,2R)-2-aminocyclohexyl]-2,6-dimethoxybenzamide
CID 93452343
N-[(1R,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 122452181
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide
CID 118308160
N-[(1S,2S)-2-aminocyclopentyl]-2,6-dimethoxybenzamide;hydrochloride
CID 118308159
N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide
CID 118308174
2-amino-N-[2-(hydroxymethyl)cyclohexyl]-3-methoxybenzamide
CID 106358697
N-(2-aminocyclohexyl)-2-(2-methoxyphenyl)acetamide
CID 55149839
N-(2-aminocycloheptyl)-2-(difluoromethoxy)benzamide
CID 63258197
N-(2-aminocycloheptyl)-3-chloro-2-methylbenzamide
CID 107098127
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide?
The IUPAC name of N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide (CID 63257686) is N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide is COc1cccc(C(=O)NC2CCCCCC2N)c1O.
What is the InChIKey of N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide?
The InChIKey is KXZHEQOVCKJSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-13-9-5-6-10(14(13)18)15(19)17-12-8-4-2-3-7-11(12)16/h5-6,9,11-12,18H,2-4,7-8,16H2,1H3,(H,17,19).
What are the key properties of N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide?
N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-2-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 63257686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).