N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide

C19H30N2O4 — CID 19241707

IUPACN-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
SMILESCC12CCC(C(=O)N(CCCC(=O)NCC3CCCO3)C1=O)C2(C)C
InChIInChI=1S/C19H30N2O4/c1-18(2)14-8-9-19(18,3)17(24)21(16(14)23)10-4-7-15(22)20-12-13-6-5-11-25-13/h13-14H,4-12H2,1-3H3,(H,20,22)
InChIKeyJGJWAZAGBHABRX-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.87
Rot. Bonds6

About N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide

N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide (PubChem CID 19241707) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
PubChem CID19241707
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
SMILESCC12CCC(C(=O)N(CCCC(=O)NCC3CCCO3)C1=O)C2(C)C
InChIInChI=1S/C19H30N2O4/c1-18(2)14-8-9-19(18,3)17(24)21(16(14)23)10-4-7-15(22)20-12-13-6-5-11-25-13/h13-14H,4-12H2,1-3H3,(H,20,22)
InChIKeyJGJWAZAGBHABRX-UHFFFAOYSA-N
XLogP1.87
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 4157958
3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8713475
6-oxo-6-(oxolan-2-ylmethylamino)hexanoic acid
CID 43529693
N-(2-nitrophenyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide
CID 19241824
N-butyl-2-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 19241424
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide
CID 20928942
N-[[(2R)-oxolan-2-yl]methyl]-2-[[(2R)-oxolan-2-yl]methylamino]acetamide
CID 7437120
6-acetamido-N-(oxolan-2-ylmethyl)hexanamide
CID 86978113
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
oxalic acid;N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 175652932
N-(4-bromo-2-methylphenyl)-3-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 19242119
6-(oxan-2-ylmethylamino)-6-oxohexanoic acid
CID 55014045

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide (CID 19241707) is N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide is CC12CCC(C(=O)N(CCCC(=O)NCC3CCCO3)C1=O)C2(C)C.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide?
The InChIKey is JGJWAZAGBHABRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-18(2)14-8-9-19(18,3)17(24)21(16(14)23)10-4-7-15(22)20-12-13-6-5-11-25-13/h13-14H,4-12H2,1-3H3,(H,20,22).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide?
N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide has a molecular weight of 350.46 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)butanamide is sourced from PubChem (CID 19241707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).