N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide

C13H22BrNO2 — CID 114312160

IUPACN-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC1CCCCC1Br
InChIInChI=1S/C13H22BrNO2/c14-12-6-2-1-4-10(12)9-15-13(16)8-11-5-3-7-17-11/h10-12H,1-9H2,(H,15,16)
InChIKeyPZBRTDUTILGMCH-UHFFFAOYSA-N
MW304.23 g/mol
LogP2.63
Rot. Bonds4

About N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide

N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide (PubChem CID 114312160) has the molecular formula C13H22BrNO2 and a molecular weight of 304.23 g/mol. Its IUPAC name is N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
PubChem CID114312160
Molecular FormulaC13H22BrNO2
Molecular Weight304.23 g/mol
Exact Mass303.08
IUPAC NameN-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC1CCCCC1Br
InChIInChI=1S/C13H22BrNO2/c14-12-6-2-1-4-10(12)9-15-13(16)8-11-5-3-7-17-11/h10-12H,1-9H2,(H,15,16)
InChIKeyPZBRTDUTILGMCH-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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'}

Analyze N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 65159597
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114303017
N-[(2-bromocyclohexyl)methyl]-2-cyclopentylacetamide
CID 114312260
2-cyclopentyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 94814349
N-[(4-aminocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114146669
2-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1072431
N-[(4-methylpiperidin-3-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114955706
2-[(2R)-oxolan-2-yl]-N-[[(2R)-thiolan-2-yl]methyl]acetamide
CID 97068683
2-[(2-bromocycloheptyl)methyl]oxolane
CID 62550191
N-(5-bromopentyl)-2-(oxolan-2-yl)acetamide
CID 107321758
(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 107833848

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide (CID 114312160) is N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NCC1CCCCC1Br.
What is the InChIKey of N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is PZBRTDUTILGMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNO2/c14-12-6-2-1-4-10(12)9-15-13(16)8-11-5-3-7-17-11/h10-12H,1-9H2,(H,15,16).
What are the key properties of N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide?
N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 304.23 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclohexyl)methyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 114312160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).