3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide

C17H32N2O5 — CID 167144990

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide
SMILESCC(CC(=O)NC(=O)NC(C=O)C(C)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C17H32N2O5/c1-11(23-16(3,4)5)9-14(21)19-15(22)18-13(10-20)12(2)24-17(6,7)8/h10-13H,9H2,1-8H3,(H2,18,19,21,22)
InChIKeyQOMILKJLELUEOS-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.18
Rot. Bonds7

About 3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide

3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide (PubChem CID 167144990) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide
PubChem CID167144990
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide
SMILESCC(CC(=O)NC(=O)NC(C=O)C(C)OC(C)(C)C)OC(C)(C)C
InChIInChI=1S/C17H32N2O5/c1-11(23-16(3,4)5)9-14(21)19-15(22)18-13(10-20)12(2)24-17(6,7)8/h10-13H,9H2,1-8H3,(H2,18,19,21,22)
InChIKeyQOMILKJLELUEOS-UHFFFAOYSA-N
XLogP2.18
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide (CID 167144990) is 3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide is CC(CC(=O)NC(=O)NC(C=O)C(C)OC(C)(C)C)OC(C)(C)C.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide?
The InChIKey is QOMILKJLELUEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-11(23-16(3,4)5)9-14(21)19-15(22)18-13(10-20)12(2)24-17(6,7)8/h10-13H,9H2,1-8H3,(H2,18,19,21,22).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide?
3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide has a molecular weight of 344.45 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-[[3-[(2-methylpropan-2-yl)oxy]-1-oxobutan-2-yl]carbamoyl]butanamide is sourced from PubChem (CID 167144990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).