N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide

C15H26BrNO2 — CID 113275527

IUPACN-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NC1(CBr)CCCCC1
InChIInChI=1S/C15H26BrNO2/c16-12-15(9-3-1-4-10-15)17-14(18)8-7-13-6-2-5-11-19-13/h13H,1-12H2,(H,17,18)
InChIKeyUTZWFPKFHFDBPE-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.55
Rot. Bonds5

About N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide

N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide (PubChem CID 113275527) has the molecular formula C15H26BrNO2 and a molecular weight of 332.28 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
PubChem CID113275527
Molecular FormulaC15H26BrNO2
Molecular Weight332.28 g/mol
Exact Mass331.11
IUPAC NameN-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NC1(CBr)CCCCC1
InChIInChI=1S/C15H26BrNO2/c16-12-15(9-3-1-4-10-15)17-14(18)8-7-13-6-2-5-11-19-13/h13H,1-12H2,(H,17,18)
InChIKeyUTZWFPKFHFDBPE-UHFFFAOYSA-N
XLogP3.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide (CID 113275527) is N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)NC1(CBr)CCCCC1.
What is the InChIKey of N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide?
The InChIKey is UTZWFPKFHFDBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO2/c16-12-15(9-3-1-4-10-15)17-14(18)8-7-13-6-2-5-11-19-13/h13H,1-12H2,(H,17,18).
What are the key properties of N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide?
N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide has a molecular weight of 332.28 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 113275527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).