2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide

C14H23Br2NO — CID 112745153

IUPAC2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide
SMILESCC(CBr)(CBr)NC(=O)C(C1CCC1)C1CCC1
InChIInChI=1S/C14H23Br2NO/c1-14(8-15,9-16)17-13(18)12(10-4-2-5-10)11-6-3-7-11/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyFSCOBKRXGXAXRC-UHFFFAOYSA-N
MW381.15 g/mol
LogP3.87
Rot. Bonds6

About 2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide

2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide (PubChem CID 112745153) has the molecular formula C14H23Br2NO and a molecular weight of 381.15 g/mol. Its IUPAC name is 2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide
PubChem CID112745153
Molecular FormulaC14H23Br2NO
Molecular Weight381.15 g/mol
Exact Mass379.01
IUPAC Name2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide
SMILESCC(CBr)(CBr)NC(=O)C(C1CCC1)C1CCC1
InChIInChI=1S/C14H23Br2NO/c1-14(8-15,9-16)17-13(18)12(10-4-2-5-10)11-6-3-7-11/h10-12H,2-9H2,1H3,(H,17,18)
InChIKeyFSCOBKRXGXAXRC-UHFFFAOYSA-N
XLogP3.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.15
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide?
The IUPAC name of 2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide (CID 112745153) is 2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for 2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide?
The canonical SMILES for 2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide is CC(CBr)(CBr)NC(=O)C(C1CCC1)C1CCC1.
What is the InChIKey of 2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide?
The InChIKey is FSCOBKRXGXAXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Br2NO/c1-14(8-15,9-16)17-13(18)12(10-4-2-5-10)11-6-3-7-11/h10-12H,2-9H2,1H3,(H,17,18).
What are the key properties of 2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide?
2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide has a molecular weight of 381.15 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-di(cyclobutyl)-N-(1,3-dibromo-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 112745153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).