N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide

C13H24BrNO2 — CID 106156254

IUPACN-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NC(CCBr)COC)CCCC1
InChIInChI=1S/C13H24BrNO2/c1-3-13(7-4-5-8-13)12(16)15-11(6-9-14)10-17-2/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyNBGQLTUFSBCUPF-UHFFFAOYSA-N
MW306.24 g/mol
LogP2.87
Rot. Bonds7

About N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide

N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide (PubChem CID 106156254) has the molecular formula C13H24BrNO2 and a molecular weight of 306.24 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
PubChem CID106156254
Molecular FormulaC13H24BrNO2
Molecular Weight306.24 g/mol
Exact Mass305.10
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
SMILESCCC1(C(=O)NC(CCBr)COC)CCCC1
InChIInChI=1S/C13H24BrNO2/c1-3-13(7-4-5-8-13)12(16)15-11(6-9-14)10-17-2/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyNBGQLTUFSBCUPF-UHFFFAOYSA-N
XLogP2.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 52.87
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-(4-chloro-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 106155416
N-(1-bromo-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 106183699
1-(aminomethyl)-N-(4-hydroxy-1-methoxybutan-2-yl)cyclohexane-1-carboxamide
CID 106161157
N-(4-bromo-1-methoxybutan-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 106156097
N-(1-chlorobutan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 114294579
N-(1-bromo-3-methoxypropan-2-yl)-1-methylcyclohexane-1-carboxamide
CID 106184425
N-(1-chloro-3-methoxypropan-2-yl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114155001
N-(4-bromo-1-methoxybutan-2-yl)-2-cyclobutylacetamide
CID 106156450
N-(4-bromo-1-methoxybutan-2-yl)pentanamide
CID 106156486
N-(5-chloropentan-2-yl)-1-ethylcyclopentane-1-carboxamide
CID 114305869
N-(4-bromo-1-methoxybutan-2-yl)-3,3-dimethylbutanamide
CID 106155980
N-(4-bromo-1-methoxybutan-2-yl)-3-cyclohexylpropanamide
CID 114151280

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide (CID 106156254) is N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide is CCC1(C(=O)NC(CCBr)COC)CCCC1.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide?
The InChIKey is NBGQLTUFSBCUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrNO2/c1-3-13(7-4-5-8-13)12(16)15-11(6-9-14)10-17-2/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide?
N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide has a molecular weight of 306.24 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-1-ethylcyclopentane-1-carboxamide is sourced from PubChem (CID 106156254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).