N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide

C12H22BrNO2 — CID 107184318

IUPACN-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide
SMILESCOCCN(CCBr)C(=O)C1CCCC1C
InChIInChI=1S/C12H22BrNO2/c1-10-4-3-5-11(10)12(15)14(7-6-13)8-9-16-2/h10-11H,3-9H2,1-2H3
InChIKeyQINZTMPMCQSEFT-UHFFFAOYSA-N
MW292.22 g/mol
LogP2.29
Rot. Bonds6

About N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide

N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide (PubChem CID 107184318) has the molecular formula C12H22BrNO2 and a molecular weight of 292.22 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide
PubChem CID107184318
Molecular FormulaC12H22BrNO2
Molecular Weight292.22 g/mol
Exact Mass291.08
IUPAC NameN-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide
SMILESCOCCN(CCBr)C(=O)C1CCCC1C
InChIInChI=1S/C12H22BrNO2/c1-10-4-3-5-11(10)12(15)14(7-6-13)8-9-16-2/h10-11H,3-9H2,1-2H3
InChIKeyQINZTMPMCQSEFT-UHFFFAOYSA-N
XLogP2.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.22
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide
CID 107184722
N-(2-bromoethyl)-4,4-difluoro-N-(2-methoxyethyl)cyclohexane-1-carboxamide
CID 113468321
N-(2-bromoethyl)-N-(2-methoxyethyl)-5-methyloxolane-3-carboxamide
CID 114823373
2-[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978387
2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylcyclohexane-1-carboxamide
CID 82960939
3-[ethyl-(2-methylcyclopentanecarbonyl)amino]propanoic acid
CID 107175280
N-(2-hydroxyethyl)-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 115772789
5-amino-N-(2-methoxyethyl)-2-methyl-N-(2-methylpropyl)cyclohexane-1-carboxamide
CID 55117060
2-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-methylcyclohexane-1-carboxamide
CID 113468096
N-(2-chloroethyl)-N-cyclopropyl-2-methylcyclopentane-1-carboxamide
CID 107183874
2-[2-methoxyethyl(thiophen-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978324
N',N'-bis(2-methoxyethyl)-N-(2-methylcyclohexyl)oxamide
CID 108525018

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide (CID 107184318) is N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide is COCCN(CCBr)C(=O)C1CCCC1C.
What is the InChIKey of N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide?
The InChIKey is QINZTMPMCQSEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrNO2/c1-10-4-3-5-11(10)12(15)14(7-6-13)8-9-16-2/h10-11H,3-9H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide?
N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide has a molecular weight of 292.22 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-methoxyethyl)-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107184318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).