N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide

C12H22ClNO2 — CID 107941165

IUPACN-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CCCCC1Cl
InChIInChI=1S/C12H22ClNO2/c1-2-7-16-9-12(15)14-8-10-5-3-4-6-11(10)13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyCCIQKPLAOVDGGB-UHFFFAOYSA-N
MW247.77 g/mol
LogP2.33
Rot. Bonds6

About N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide

N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide (PubChem CID 107941165) has the molecular formula C12H22ClNO2 and a molecular weight of 247.77 g/mol. Its IUPAC name is N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide.

Molecular Properties

Compound NameN-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide
PubChem CID107941165
Molecular FormulaC12H22ClNO2
Molecular Weight247.77 g/mol
Exact Mass247.13
IUPAC NameN-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide
SMILESCCCOCC(=O)NCC1CCCCC1Cl
InChIInChI=1S/C12H22ClNO2/c1-2-7-16-9-12(15)14-8-10-5-3-4-6-11(10)13/h10-11H,2-9H2,1H3,(H,14,15)
InChIKeyCCIQKPLAOVDGGB-UHFFFAOYSA-N
XLogP2.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212441
N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106117768
N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106131991
N-[(4-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106133575
N-(5-chloro-4-methylpentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106157243
N-[2-(chloromethyl)cyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106366967
N-[(2-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113788857
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 113788899
N-(cyclohexylmethyl)-2-methoxyacetamide
CID 53524116
2-(2-chloroethoxy)-N-(4-methylcyclohexyl)acetamide
CID 58691302
N-[(1R)-1-(4-chlorocyclohexyl)ethyl]-2-methoxyacetamide
CID 140472005
N-(cyclohexylmethyl)-2-(2-propoxyethoxy)acetamide
CID 175632676

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide?
The IUPAC name of N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide (CID 107941165) is N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide.
What is the SMILES notation for N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide?
The canonical SMILES for N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide is CCCOCC(=O)NCC1CCCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide?
The InChIKey is CCIQKPLAOVDGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClNO2/c1-2-7-16-9-12(15)14-8-10-5-3-4-6-11(10)13/h10-11H,2-9H2,1H3,(H,14,15).
What are the key properties of N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide?
N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide has a molecular weight of 247.77 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclohexyl)methyl]-2-propoxyacetamide is sourced from PubChem (CID 107941165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).