2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide

C10H18BrNO2 — CID 106128023

IUPAC2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
SMILESCC(Br)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C10H18BrNO2/c1-7(11)10(14)12-6-8-3-2-4-9(13)5-8/h7-9,13H,2-6H2,1H3,(H,12,14)
InChIKeyWLOMAOWBXVKSQJ-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.44
Rot. Bonds3

About 2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide

2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide (PubChem CID 106128023) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
PubChem CID106128023
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide
SMILESCC(Br)C(=O)NCC1CCCC(O)C1
InChIInChI=1S/C10H18BrNO2/c1-7(11)10(14)12-6-8-3-2-4-9(13)5-8/h7-9,13H,2-6H2,1H3,(H,12,14)
InChIKeyWLOMAOWBXVKSQJ-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[(3-hydroxycyclohexyl)methyl]butanamide
CID 103950304
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methoxypropanamide
CID 106135074
N-[(3-hydroxycyclohexyl)methyl]-3-(propan-2-ylamino)propanamide
CID 114148146
2-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 103950314
N-[(3-hydroxycyclopentyl)methyl]-2-sulfanylpropanamide
CID 106137756
2-amino-N-[(3-hydroxycyclopentyl)methyl]propanamide
CID 106134063
N-[(3-hydroxycyclopentyl)methyl]-2-methoxypropanamide
CID 103279856
2-[(3-hydroxycyclohexyl)methylamino]-N-(2-methylpropyl)propanamide
CID 114147705
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
CID 106135106
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
N-cyclopentyl-2-[(3-hydroxycyclohexyl)methylamino]propanamide
CID 106132630
5-amino-N-[(3-hydroxycyclohexyl)methyl]hexanamide
CID 114148164

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide?
The IUPAC name of 2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide (CID 106128023) is 2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide.
What is the SMILES notation for 2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide?
The canonical SMILES for 2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide is CC(Br)C(=O)NCC1CCCC(O)C1.
What is the InChIKey of 2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide?
The InChIKey is WLOMAOWBXVKSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-7(11)10(14)12-6-8-3-2-4-9(13)5-8/h7-9,13H,2-6H2,1H3,(H,12,14).
What are the key properties of 2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide?
2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide has a molecular weight of 264.16 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-hydroxycyclohexyl)methyl]propanamide is sourced from PubChem (CID 106128023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).