N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide

C12H22BrNO2 — CID 106184425

IUPACN-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCOCC(CBr)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C12H22BrNO2/c1-12(6-4-3-5-7-12)11(15)14-10(8-13)9-16-2/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyOYBLXARMNWNUON-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.48
Rot. Bonds5

About N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide

N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide (PubChem CID 106184425) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide
PubChem CID106184425
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide
SMILESCOCC(CBr)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C12H22BrNO2/c1-12(6-4-3-5-7-12)11(15)14-10(8-13)9-16-2/h10H,3-9H2,1-2H3,(H,14,15)
InChIKeyOYBLXARMNWNUON-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106183699
N-(1-bromo-3-methoxypropan-2-yl)-2-methylthiolane-2-carboxamide
CID 106184031
N-(1-bromopropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829026
N-(1-bromo-3-methoxypropan-2-yl)cycloheptanecarboxamide
CID 106184471
N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylpiperidine-3-carboxamide
CID 103950700
N-(3-chloro-4-methoxybutyl)-1-methylcyclohexane-1-carboxamide
CID 106244255
N-(4-bromopentan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106829061
N-(1-chlorobutan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106828986
N-(1-bromo-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 106183718
N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106156254
N-[(2R)-1-hydroxybutan-2-yl]-1-methylcyclopentane-1-carboxamide
CID 103920108
methyl 2-[(1-methylcyclohexanecarbonyl)amino]propanoate
CID 106828162

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide (CID 106184425) is N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide is COCC(CBr)NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is OYBLXARMNWNUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-12(6-4-3-5-7-12)11(15)14-10(8-13)9-16-2/h10H,3-9H2,1-2H3,(H,14,15).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide?
N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 292.22 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 106184425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).