N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide

C13H25NO4 — CID 110125976

IUPACN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide
SMILESCO[C@@H]1CCCC[C@@H](NC(=O)C(C)(C)OC)[C@H]1O
InChIInChI=1S/C13H25NO4/c1-13(2,18-4)12(16)14-9-7-5-6-8-10(17-3)11(9)15/h9-11,15H,5-8H2,1-4H3,(H,14,16)/t9-,10-,11-/m1/s1
InChIKeyXWSNICPRAPXLMW-GMTAPVOTSA-N
MW259.35 g/mol
LogP0.85
Rot. Bonds4

About N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide

N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide (PubChem CID 110125976) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide
PubChem CID110125976
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC NameN-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide
SMILESCO[C@@H]1CCCC[C@@H](NC(=O)C(C)(C)OC)[C@H]1O
InChIInChI=1S/C13H25NO4/c1-13(2,18-4)12(16)14-9-7-5-6-8-10(17-3)11(9)15/h9-11,15H,5-8H2,1-4H3,(H,14,16)/t9-,10-,11-/m1/s1
InChIKeyXWSNICPRAPXLMW-GMTAPVOTSA-N
XLogP0.85
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-2-methyl-N-(2-methylcycloheptyl)propanamide
CID 103714354
2-(1-hydroxycyclohexyl)-N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]acetamide
CID 110125960
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide
CID 110125986
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-(trifluoromethyl)benzamide
CID 110125899
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]pyridine-4-carboxamide
CID 110125491
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-5-methylpyridine-3-carboxamide
CID 110125585
2,2,3,3-tetrafluoro-N-(2-methoxycyclopentyl)propanamide
CID 103758662
2-fluoro-N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]benzamide
CID 110125479
N-[(1R,2R,3R)-2-hydroxy-3-methoxycyclohexyl]-1,2-oxazole-3-carboxamide
CID 110125559
2-[[(1R,2R)-2-methoxycyclohexyl]amino]acetic acid
CID 93286937
S-methyl N-[(1R,2S)-2-methoxycyclohexyl]carbamothioate
CID 41097231
N-(azepan-4-yl)-2-methoxy-2-methylpropanamide
CID 107172264

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide?
The IUPAC name of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide (CID 110125976) is N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide is CO[C@@H]1CCCC[C@@H](NC(=O)C(C)(C)OC)[C@H]1O.
What is the InChIKey of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide?
The InChIKey is XWSNICPRAPXLMW-GMTAPVOTSA-N. The full InChI is InChI=1S/C13H25NO4/c1-13(2,18-4)12(16)14-9-7-5-6-8-10(17-3)11(9)15/h9-11,15H,5-8H2,1-4H3,(H,14,16)/t9-,10-,11-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide?
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 110125976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).