N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide

C13H22BrNO2 — CID 106127872

IUPACN-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCC1CCC(Br)C1
InChIInChI=1S/C13H22BrNO2/c14-11-4-3-10(8-11)9-15-13(16)6-5-12-2-1-7-17-12/h10-12H,1-9H2,(H,15,16)
InChIKeyIDFHHVVFEDGNAJ-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.63
Rot. Bonds5

About N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide

N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide (PubChem CID 106127872) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide
PubChem CID106127872
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC NameN-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCC1CCC(Br)C1
InChIInChI=1S/C13H22BrNO2/c14-11-4-3-10(8-11)9-15-13(16)6-5-12-2-1-7-17-12/h10-12H,1-9H2,(H,15,16)
InChIKeyIDFHHVVFEDGNAJ-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 52.63
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-(2-hydroxyethyl)-3-(oxolan-2-yl)propanamide
CID 43419593
N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide
CID 106128914
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
CID 106128972
N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64927836
N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64911137
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
3-(methylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 54773627
N-[3-(methylamino)propyl]-3-(oxolan-2-yl)propanamide
CID 65157006
2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 66166255
N-(2-bromocyclopentyl)-3-(oxolan-2-yl)propanamide
CID 80661636
N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114146669

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide (CID 106127872) is N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)NCC1CCC(Br)C1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is IDFHHVVFEDGNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c14-11-4-3-10(8-11)9-15-13(16)6-5-12-2-1-7-17-12/h10-12H,1-9H2,(H,15,16).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide?
N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 304.23 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 106127872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).