N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide

C14H26BrNO2 — CID 106183699

IUPACN-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCOCC(CBr)NC(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H26BrNO2/c1-11(2)8-14(6-4-5-7-14)13(17)16-12(9-15)10-18-3/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyCUZRHZRWOJETAL-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.12
Rot. Bonds7

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

N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 106183699) has the molecular formula C14H26BrNO2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID106183699
Molecular FormulaC14H26BrNO2
Molecular Weight320.27 g/mol
Exact Mass319.11
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCOCC(CBr)NC(=O)C1(CC(C)C)CCCC1
InChIInChI=1S/C14H26BrNO2/c1-11(2)8-14(6-4-5-7-14)13(17)16-12(9-15)10-18-3/h11-12H,4-10H2,1-3H3,(H,16,17)
InChIKeyCUZRHZRWOJETAL-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.12
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-chloro-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114155001
N-(1-bromo-4-methylpentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114311733
N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106184425
N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106156254
N-(1-bromo-3-methoxypropan-2-yl)-2-methylthiolane-2-carboxamide
CID 106184031
N-[(2S)-1-aminopropan-2-yl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 120504549
N-(1-bromo-3-methoxypropan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 106183718
N-(4-chloro-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106155416
N-(4-chloropentan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 113376732
N-but-3-yn-2-yl-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114390037
methyl 1-(2-methylpropyl)cyclohexane-1-carboxylate
CID 125474845
N-(5-bromopentyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107321660

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 106183699) is N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide is COCC(CBr)NC(=O)C1(CC(C)C)CCCC1.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is CUZRHZRWOJETAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrNO2/c1-11(2)8-14(6-4-5-7-14)13(17)16-12(9-15)10-18-3/h11-12H,4-10H2,1-3H3,(H,16,17).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 320.27 g/mol, XLogP of 3.12, 7 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-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 106183699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).