N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide

C14H24ClNO2 — CID 113359953

IUPACN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC1(CCl)CCCCC1
InChIInChI=1S/C14H24ClNO2/c15-10-14(6-2-1-3-7-14)11-16-13(17)9-12-5-4-8-18-12/h12H,1-11H2,(H,16,17)
InChIKeyBMOMWPWANWMOMO-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.86
Rot. Bonds5

About N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide

N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide (PubChem CID 113359953) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide
PubChem CID113359953
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC NameN-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide
SMILESO=C(CC1CCCO1)NCC1(CCl)CCCCC1
InChIInChI=1S/C14H24ClNO2/c15-10-14(6-2-1-3-7-14)11-16-13(17)9-12-5-4-8-18-12/h12H,1-11H2,(H,16,17)
InChIKeyBMOMWPWANWMOMO-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.86
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-[[1-(aminomethyl)cyclopentyl]methyl]-2-(oxolan-2-yl)acetamide
CID 113295133
2-(oxolan-2-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 110696563
N-[[1-(aminomethyl)cyclohexyl]methyl]-3-(oxolan-2-yl)propanamide
CID 103970098
N-[(2-methylpyrrolidin-2-yl)methyl]-2-(oxolan-2-yl)acetamide
CID 114761731
N-(3-chloro-2,2-dimethylpropyl)-2-(oxolan-2-yl)acetamide
CID 115364529
N-[1-(bromomethyl)cyclohexyl]-2-(oxolan-2-yl)acetamide
CID 114314002
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-cyclopentylpropanamide
CID 103969470
(2S)-2-hydroxy-3-[[2-(oxolan-2-yl)acetyl]amino]propanoic acid
CID 107833848
N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
N-(2-acetamidoethyl)-2-(oxolan-2-yl)acetamide
CID 110696614
2-(oxolan-2-yl)-N-prop-2-ynylacetamide
CID 60769102
4-methyl-1-[[[2-(oxan-2-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115440948

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide?
The IUPAC name of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide (CID 113359953) is N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide is O=C(CC1CCCO1)NCC1(CCl)CCCCC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide?
The InChIKey is BMOMWPWANWMOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c15-10-14(6-2-1-3-7-14)11-16-13(17)9-12-5-4-8-18-12/h12H,1-11H2,(H,16,17).
What are the key properties of N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide?
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide has a molecular weight of 273.80 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(oxolan-2-yl)acetamide is sourced from PubChem (CID 113359953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).