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

C15H26BrNO2 — CID 106367229

IUPACN-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NC1CCCCC1CBr
InChIInChI=1S/C15H26BrNO2/c16-11-12-5-1-2-7-14(12)17-15(18)9-8-13-6-3-4-10-19-13/h12-14H,1-11H2,(H,17,18)
InChIKeyPWJLPTCSJTUXHC-UHFFFAOYSA-N
MW332.28 g/mol
LogP3.41
Rot. Bonds5

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

N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide (PubChem CID 106367229) has the molecular formula C15H26BrNO2 and a molecular weight of 332.28 g/mol. Its IUPAC name is N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
PubChem CID106367229
Molecular FormulaC15H26BrNO2
Molecular Weight332.28 g/mol
Exact Mass331.11
IUPAC NameN-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide
SMILESO=C(CCC1CCCCO1)NC1CCCCC1CBr
InChIInChI=1S/C15H26BrNO2/c16-11-12-5-1-2-7-14(12)17-15(18)9-8-13-6-3-4-10-19-13/h12-14H,1-11H2,(H,17,18)
InChIKeyPWJLPTCSJTUXHC-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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-bromocyclopentyl)-3-(oxolan-2-yl)propanamide
CID 80661636
cis-(1R,3S)-3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106320914
3-[3-(oxan-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66030722
N-(2-ethylsulfanylcyclohexyl)-3-(oxolan-2-yl)propanamide
CID 71861380
N-[(1S,2R)-2-ethylsulfanylcyclohexyl]-3-[(2R)-oxolan-2-yl]propanamide
CID 124860116
N-[2-(bromomethyl)cyclohexyl]pentanamide
CID 106367298
4-[3-(oxolan-2-yl)propanoylamino]oxolane-3-carboxylic acid
CID 66222668
N-[(2-hydroxycyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64911137
3-(oxan-2-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386884
N-[(2-aminocyclohexyl)methyl]-3-(oxan-2-yl)propanamide
CID 64927836
N-(6-bromohexyl)-3-(oxan-2-yl)propanamide
CID 107847530
N-(4-oxocyclohexyl)-3-(oxolan-2-yl)propanamide
CID 65155572

Frequently Asked Questions

What is the IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide?
The IUPAC name of N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide (CID 106367229) is N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide.
What is the SMILES notation for N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide?
The canonical SMILES for N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide is O=C(CCC1CCCCO1)NC1CCCCC1CBr.
What is the InChIKey of N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide?
The InChIKey is PWJLPTCSJTUXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrNO2/c16-11-12-5-1-2-7-14(12)17-15(18)9-8-13-6-3-4-10-19-13/h12-14H,1-11H2,(H,17,18).
What are the key properties of N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide?
N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide has a molecular weight of 332.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(bromomethyl)cyclohexyl]-3-(oxan-2-yl)propanamide is sourced from PubChem (CID 106367229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).