N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide

C12H22N2O2 — CID 115741818

IUPACN-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide
SMILESCC(C)(C)NC(=O)CNCC1=CCCOC1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)14-11(15)8-13-7-10-5-4-6-16-9-10/h5,13H,4,6-9H2,1-3H3,(H,14,15)
InChIKeyVOVMYZKRVAZRAO-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.84
Rot. Bonds4

About N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide

N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide (PubChem CID 115741818) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide
PubChem CID115741818
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide
SMILESCC(C)(C)NC(=O)CNCC1=CCCOC1
InChIInChI=1S/C12H22N2O2/c1-12(2,3)14-11(15)8-13-7-10-5-4-6-16-9-10/h5,13H,4,6-9H2,1-3H3,(H,14,15)
InChIKeyVOVMYZKRVAZRAO-UHFFFAOYSA-N
XLogP0.84
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3,6-dihydro-2H-pyran-5-ylmethyl(2-methylpropyl)amino]acetamide
CID 132303611
2-(tert-butylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113581455
2-(butan-2-ylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 113581476
2-amino-N-[2-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]acetamide
CID 114409712
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methyl-2-(methylamino)propan-1-one
CID 114409714
2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 114409798
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(propan-2-ylamino)ethanone
CID 114409817
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(propylamino)ethanone
CID 114409875
2-(ethylamino)-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114409893
2-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylacetamide
CID 115674363
3-(3,6-dihydro-2H-pyran-5-ylmethylamino)-N-propan-2-ylpropanamide
CID 115674391
N-[2-(3,6-dihydro-2H-pyran-5-ylmethylamino)ethyl]-2-methylpropanamide
CID 115741775

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide?
The IUPAC name of N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide (CID 115741818) is N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide?
The canonical SMILES for N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide is CC(C)(C)NC(=O)CNCC1=CCCOC1.
What is the InChIKey of N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide?
The InChIKey is VOVMYZKRVAZRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)14-11(15)8-13-7-10-5-4-6-16-9-10/h5,13H,4,6-9H2,1-3H3,(H,14,15).
What are the key properties of N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide?
N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide has a molecular weight of 226.32 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3,6-dihydro-2H-pyran-5-ylmethylamino)acetamide is sourced from PubChem (CID 115741818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).