N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide

C15H28N2O3 — CID 145466035

IUPACN-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide
SMILESCONC(NC(=O)CC1CCOCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-19-17-15(13-5-3-2-4-6-13)16-14(18)11-12-7-9-20-10-8-12/h12-13,15,17H,2-11H2,1H3,(H,16,18)
InChIKeyQFDVUCHOYKPBRE-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.98
Rot. Bonds6

About N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide

N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide (PubChem CID 145466035) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide
PubChem CID145466035
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC NameN-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide
SMILESCONC(NC(=O)CC1CCOCC1)C1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-19-17-15(13-5-3-2-4-6-13)16-14(18)11-12-7-9-20-10-8-12/h12-13,15,17H,2-11H2,1H3,(H,16,18)
InChIKeyQFDVUCHOYKPBRE-UHFFFAOYSA-N
XLogP1.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3R)-2-methylpentan-3-yl]-2-(oxan-4-yl)acetamide
CID 169194388
ethyl 3-[[2-(oxan-4-yl)acetyl]amino]butanoate
CID 86779249
N-cycloheptyl-2-(oxan-4-ylmethylamino)acetamide
CID 63725638
methyl (2S)-2-[(2-cyclopentylacetyl)amino]propanoate
CID 54564390
2-amino-N-[2-[(2-cyclohexylacetyl)amino]ethyl]-2-(oxan-4-yl)acetamide
CID 120791442
N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide
CID 91918174
2-(oxan-4-yl)-N-(2,2,5-trimethyl-4-oxohex-5-en-3-yl)acetamide
CID 145466143
(2S)-2-[(2-cyclohexylacetyl)amino]propanoic acid
CID 51604978
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970
(2S)-4-amino-2-[[2-(oxan-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 110837443
(2S)-2-[(2-cyclohexylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63307198
2-(oxan-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 63711162

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide (CID 145466035) is N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide is CONC(NC(=O)CC1CCOCC1)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide?
The InChIKey is QFDVUCHOYKPBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-19-17-15(13-5-3-2-4-6-13)16-14(18)11-12-7-9-20-10-8-12/h12-13,15,17H,2-11H2,1H3,(H,16,18).
What are the key properties of N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide?
N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide has a molecular weight of 284.40 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(methoxyamino)methyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 145466035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).