3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide

C15H28N2O3 — CID 58331756

IUPAC3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide
SMILESCCCC(NC(C)(C)C)C(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C15H28N2O3/c1-5-7-12(17-15(2,3)4)13(18)14(19)16-10-11-8-6-9-20-11/h11-12,17H,5-10H2,1-4H3,(H,16,19)
InChIKeyHHWRQXDCLSVCMU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.41
Rot. Bonds7

About 3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide

3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide (PubChem CID 58331756) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide
PubChem CID58331756
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide
SMILESCCCC(NC(C)(C)C)C(=O)C(=O)NCC1CCCO1
InChIInChI=1S/C15H28N2O3/c1-5-7-12(17-15(2,3)4)13(18)14(19)16-10-11-8-6-9-20-11/h11-12,17H,5-10H2,1-4H3,(H,16,19)
InChIKeyHHWRQXDCLSVCMU-UHFFFAOYSA-N
XLogP1.41
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[[(2R)-oxolan-2-yl]methyl]-N-propyloxamide
CID 2290769
2-[[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]amino]pentanoic acid
CID 43631760
N'-butan-2-yl-N-(oxolan-2-ylmethyl)oxamide
CID 3149550
2-bromo-2-methyl-N-(oxolan-2-ylmethyl)propanamide
CID 82108842
2,2-dimethyl-N-(oxolan-2-ylmethyl)-N'-pentylpropanediamide
CID 108960054
2-bromo-N-(oxolan-2-ylmethyl)hexanamide
CID 110839202
N'-(1-hydroxybutan-2-yl)-N-(oxolan-2-ylmethyl)oxamide
CID 3156691
N'-[(2R)-1-hydroxybutan-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]oxamide
CID 7242422
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 40531863
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
2-(oxolan-2-ylmethylamino)heptanamide
CID 61006217
[(2S)-oxolan-2-yl]methylcarbamic acid
CID 69040354

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide?
The IUPAC name of 3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide (CID 58331756) is 3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide.
What is the SMILES notation for 3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide?
The canonical SMILES for 3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide is CCCC(NC(C)(C)C)C(=O)C(=O)NCC1CCCO1.
What is the InChIKey of 3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide?
The InChIKey is HHWRQXDCLSVCMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-7-12(17-15(2,3)4)13(18)14(19)16-10-11-8-6-9-20-11/h11-12,17H,5-10H2,1-4H3,(H,16,19).
What are the key properties of 3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide?
3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide has a molecular weight of 284.40 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-2-oxo-N-(oxolan-2-ylmethyl)hexanamide is sourced from PubChem (CID 58331756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).