N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide

C13H24N2O3 — CID 51894478

IUPACN-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide
SMILESCOC[C@@H](C)NC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(9-18-2)14-12(16)13(17)15-11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyFTWUFDRYEZHJDE-SNVBAGLBSA-N
MW256.35 g/mol
LogP0.98
Rot. Bonds4

About N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide

N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide (PubChem CID 51894478) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide.

Molecular Properties

Compound NameN-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide
PubChem CID51894478
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC NameN-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide
SMILESCOC[C@@H](C)NC(=O)C(=O)NC1CCCCCC1
InChIInChI=1S/C13H24N2O3/c1-10(9-18-2)14-12(16)13(17)15-11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1
InChIKeyFTWUFDRYEZHJDE-SNVBAGLBSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111090902
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CID 81394863
N-cyclohexyl-N',N'-bis(2-methoxyethyl)oxamide
CID 108504409
4-cyclohexyl-N-(1-methoxypropan-2-yl)butanamide
CID 78785346
N'-cyclododecyl-N-(3-propan-2-yloxypropyl)oxamide
CID 108517389
N-cycloheptyl-3-methoxypropanamide
CID 110839127
N-(1-methoxypropan-2-yl)-2-(oxan-3-ylamino)acetamide
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CID 108504332

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide?
The IUPAC name of N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide (CID 51894478) is N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide.
What is the SMILES notation for N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide?
The canonical SMILES for N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide is COC[C@@H](C)NC(=O)C(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide?
The InChIKey is FTWUFDRYEZHJDE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10(9-18-2)14-12(16)13(17)15-11-7-5-3-4-6-8-11/h10-11H,3-9H2,1-2H3,(H,14,16)(H,15,17)/t10-/m1/s1.
What are the key properties of N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide?
N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide has a molecular weight of 256.35 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N'-[(2R)-1-methoxypropan-2-yl]oxamide is sourced from PubChem (CID 51894478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).