N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide

C14H24BrNO2 — CID 114170594

IUPACN-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NC1(CBr)CCOCC1
InChIInChI=1S/C14H24BrNO2/c15-11-14(7-9-18-10-8-14)16-13(17)6-5-12-3-1-2-4-12/h12H,1-11H2,(H,16,17)
InChIKeyYTAYPMFNAORZSG-UHFFFAOYSA-N
MW318.26 g/mol
LogP3.02
Rot. Bonds5

About N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide

N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide (PubChem CID 114170594) has the molecular formula C14H24BrNO2 and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide
PubChem CID114170594
Molecular FormulaC14H24BrNO2
Molecular Weight318.26 g/mol
Exact Mass317.10
IUPAC NameN-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide
SMILESO=C(CCC1CCCC1)NC1(CBr)CCOCC1
InChIInChI=1S/C14H24BrNO2/c15-11-14(7-9-18-10-8-14)16-13(17)6-5-12-3-1-2-4-12/h12H,1-11H2,(H,16,17)
InChIKeyYTAYPMFNAORZSG-UHFFFAOYSA-N
XLogP3.02
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 53.02
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-(chloromethyl)oxan-4-yl]-3-cyclohexylpropanamide
CID 106300473
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115764878
N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
CID 113275527
3-cyclohexyl-N-[1-(hydroxymethyl)cyclohexyl]propanamide
CID 62519861
3-cyclohexyl-N-[1-(hydroxymethyl)cyclopentyl]propanamide
CID 62517314
N-[1-(bromomethyl)cyclobutyl]-2-cycloheptylacetamide
CID 114459158
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
N-[1-(bromomethyl)cyclohexyl]-2-cyclopentylacetamide
CID 114314127
N-[4-(bromomethyl)oxan-4-yl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106300834
N-[4-(bromomethyl)oxan-4-yl]-3-methylbutanamide
CID 106300984
N-[[1-(bromomethyl)cyclopropyl]methyl]-3-cyclopentylpropanamide
CID 115456298
3-cyclohexyl-N-[1-(hydroxymethyl)-4-methylcyclohexyl]propanamide
CID 62527693

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide?
The IUPAC name of N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide (CID 114170594) is N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide.
What is the SMILES notation for N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide?
The canonical SMILES for N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide is O=C(CCC1CCCC1)NC1(CBr)CCOCC1.
What is the InChIKey of N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide?
The InChIKey is YTAYPMFNAORZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrNO2/c15-11-14(7-9-18-10-8-14)16-13(17)6-5-12-3-1-2-4-12/h12H,1-11H2,(H,16,17).
What are the key properties of N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide?
N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide has a molecular weight of 318.26 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)oxan-4-yl]-3-cyclopentylpropanamide is sourced from PubChem (CID 114170594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).