2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide

C12H24N2O2 — CID 63098151

IUPAC2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
SMILESCC(C)C(C)NCC(=O)NC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)10(3)13-8-12(15)14-11-4-6-16-7-5-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyPMSCNMIFLZNKCG-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.92
Rot. Bonds5

About 2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide

2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide (PubChem CID 63098151) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
PubChem CID63098151
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide
SMILESCC(C)C(C)NCC(=O)NC1CCOCC1
InChIInChI=1S/C12H24N2O2/c1-9(2)10(3)13-8-12(15)14-11-4-6-16-7-5-11/h9-11,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyPMSCNMIFLZNKCG-UHFFFAOYSA-N
XLogP0.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-2-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]acetamide
CID 95326337
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322
N-cyclohexyl-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 103902052
N-(oxan-4-yl)-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 55180342
2-(4-methoxybutan-2-ylamino)-N-(oxan-4-yl)acetamide
CID 64605664
2-(butan-2-ylamino)-N-(oxolan-3-yl)acetamide
CID 80713915
2-[1-(furan-2-yl)ethylamino]-N-(oxan-4-yl)acetamide
CID 55182265
4-hydroxy-N-(oxan-4-yl)pentanamide
CID 79191727
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylbutanoic acid
CID 79391522
3-(ethylamino)-N-(oxan-4-yl)butanamide
CID 62838798
2-[1-(4-fluorophenyl)propan-2-ylamino]-N-(oxan-4-yl)acetamide
CID 63097642
2-(2-methoxypropylamino)-N-(oxan-4-yl)acetamide
CID 102697815

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide (CID 63098151) is 2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide is CC(C)C(C)NCC(=O)NC1CCOCC1.
What is the InChIKey of 2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide?
The InChIKey is PMSCNMIFLZNKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)10(3)13-8-12(15)14-11-4-6-16-7-5-11/h9-11,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide?
2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide has a molecular weight of 228.34 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutan-2-ylamino)-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63098151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).