N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide

C14H26BrNO — CID 114459136

IUPACN-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCCCC1)C(C)(C)CBr
InChIInChI=1S/C14H26BrNO/c1-14(2,11-15)16(3)13(17)10-12-8-6-4-5-7-9-12/h12H,4-11H2,1-3H3
InChIKeyKYHLQFNUEPMSTC-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.98
Rot. Bonds4

About N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide

N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide (PubChem CID 114459136) has the molecular formula C14H26BrNO and a molecular weight of 304.27 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide
PubChem CID114459136
Molecular FormulaC14H26BrNO
Molecular Weight304.27 g/mol
Exact Mass303.12
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide
SMILESCN(C(=O)CC1CCCCCC1)C(C)(C)CBr
InChIInChI=1S/C14H26BrNO/c1-14(2,11-15)16(3)13(17)10-12-8-6-4-5-7-9-12/h12H,4-11H2,1-3H3
InChIKeyKYHLQFNUEPMSTC-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
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 N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide (CID 114459136) is N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide is CN(C(=O)CC1CCCCCC1)C(C)(C)CBr.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide?
The InChIKey is KYHLQFNUEPMSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO/c1-14(2,11-15)16(3)13(17)10-12-8-6-4-5-7-9-12/h12H,4-11H2,1-3H3.
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide?
N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide has a molecular weight of 304.27 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)-2-cycloheptyl-N-methylacetamide is sourced from PubChem (CID 114459136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).