molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide

C10H23NO2 — CID 155692166

IUPACmolecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide
SMILESCC(C)NC(=O)CCCOC(C)C.[H][H]
InChIInChI=1S/C10H21NO2.H2/c1-8(2)11-10(12)6-5-7-13-9(3)4;/h8-9H,5-7H2,1-4H3,(H,11,12);1H
InChIKeySQFPMOYIBOBZHP-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.96
Rot. Bonds6

About molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide

molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide (PubChem CID 155692166) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide.

Molecular Properties

Compound Namemolecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide
PubChem CID155692166
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Namemolecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide
SMILESCC(C)NC(=O)CCCOC(C)C.[H][H]
InChIInChI=1S/C10H21NO2.H2/c1-8(2)11-10(12)6-5-7-13-9(3)4;/h8-9H,5-7H2,1-4H3,(H,11,12);1H
InChIKeySQFPMOYIBOBZHP-UHFFFAOYSA-N
XLogP1.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide?
The IUPAC name of molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide (CID 155692166) is molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide.
What is the SMILES notation for molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide?
The canonical SMILES for molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide is CC(C)NC(=O)CCCOC(C)C.[H][H].
What is the InChIKey of molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide?
The InChIKey is SQFPMOYIBOBZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2.H2/c1-8(2)11-10(12)6-5-7-13-9(3)4;/h8-9H,5-7H2,1-4H3,(H,11,12);1H.
What are the key properties of molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide?
molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide has a molecular weight of 189.30 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;N-propan-2-yl-4-propan-2-yloxybutanamide is sourced from PubChem (CID 155692166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).