N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide

C13H24BrNO2 — CID 80670667

IUPACN-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide
SMILESCOCC(Br)CN(C)C(=O)CC1CCCCC1
InChIInChI=1S/C13H24BrNO2/c1-15(9-12(14)10-17-2)13(16)8-11-6-4-3-5-7-11/h11-12H,3-10H2,1-2H3
InChIKeyZMIMKGGICFYNIJ-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.83
Rot. Bonds6

About N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide

N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide (PubChem CID 80670667) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide.

Molecular Properties

Compound NameN-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide
PubChem CID80670667
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC NameN-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide
SMILESCOCC(Br)CN(C)C(=O)CC1CCCCC1
InChIInChI=1S/C13H24BrNO2/c1-15(9-12(14)10-17-2)13(16)8-11-6-4-3-5-7-11/h11-12H,3-10H2,1-2H3
InChIKeyZMIMKGGICFYNIJ-UHFFFAOYSA-N
XLogP2.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide?
The IUPAC name of N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide (CID 80670667) is N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide.
What is the SMILES notation for N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide?
The canonical SMILES for N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide is COCC(Br)CN(C)C(=O)CC1CCCCC1.
What is the InChIKey of N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide?
The InChIKey is ZMIMKGGICFYNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c1-15(9-12(14)10-17-2)13(16)8-11-6-4-3-5-7-11/h11-12H,3-10H2,1-2H3.
What are the key properties of N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide?
N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide has a molecular weight of 306.24 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-methoxypropyl)-2-cyclohexyl-N-methylacetamide is sourced from PubChem (CID 80670667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).