N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide

C13H22BrNO2 — CID 114315867

IUPACN-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCC(Br)C1CC1
InChIInChI=1S/C13H22BrNO2/c14-12(10-4-5-10)9-15-13(16)7-6-11-3-1-2-8-17-11/h10-12H,1-9H2,(H,15,16)
InChIKeyXERBWKFLLYZYIQ-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.63
Rot. Bonds6

About N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide

N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide (PubChem CID 114315867) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide
PubChem CID114315867
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC NameN-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NCC(Br)C1CC1
InChIInChI=1S/C13H22BrNO2/c14-12(10-4-5-10)9-15-13(16)7-6-11-3-1-2-8-17-11/h10-12H,1-9H2,(H,15,16)
InChIKeyXERBWKFLLYZYIQ-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-[(2S)-2-hydroxypropyl]-3-(oxan-2-yl)propanamide
CID 83030976
N-[2-methyl-3-(methylamino)propyl]-3-(oxan-2-yl)propanamide
CID 81479192
N-[(2S)-2-hydroxypropyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 93044550
N-(2-chloropropyl)-3-(oxolan-2-yl)propanamide
CID 114296653
4,4-dimethyl-2-[[3-(oxan-2-yl)propanoylamino]methyl]pentanoic acid
CID 107474137
N-[2-(2-chloroethyl)pentyl]-3-(oxan-2-yl)propanamide
CID 106117578
2-hydroxy-3-[3-(oxolan-2-yl)propanoylamino]propanoic acid
CID 66166255
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(oxan-2-yl)propanamide
CID 76996311
4-[3-(oxan-2-yl)propanoylamino]butanoic acid
CID 63953918
N-(3-aminopropyl)-3-(oxan-2-yl)propanamide
CID 63953300
N-(2-amino-3-hydroxybutyl)-3-(oxolan-2-yl)propanamide
CID 65160397

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide?
The IUPAC name of N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide (CID 114315867) is N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)NCC(Br)C1CC1.
What is the InChIKey of N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide?
The InChIKey is XERBWKFLLYZYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c14-12(10-4-5-10)9-15-13(16)7-6-11-3-1-2-8-17-11/h10-12H,1-9H2,(H,15,16).
What are the key properties of N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide?
N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide has a molecular weight of 304.23 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-2-cyclopropylethyl)-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 114315867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).