3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide

C12H23NO3 — CID 106825531

IUPAC3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOC1CCC(CO)CC1
InChIInChI=1S/C12H23NO3/c1-13(2)12(15)7-8-16-11-5-3-10(9-14)4-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyPWKBFCZVBABULB-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds5

About 3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide

3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide (PubChem CID 106825531) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
PubChem CID106825531
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCOC1CCC(CO)CC1
InChIInChI=1S/C12H23NO3/c1-13(2)12(15)7-8-16-11-5-3-10(9-14)4-6-11/h10-11,14H,3-9H2,1-2H3
InChIKeyPWKBFCZVBABULB-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[3-(dimethylamino)-3-oxopropoxy]cyclohexane-1-carboxylate
CID 114450718
N-[2-(dimethylamino)-2-oxoethyl]-3-piperidin-4-yloxypropanamide
CID 63874940
N-methyl-3-piperidin-4-yloxy-N-propan-2-ylpropanamide
CID 63876646
3-cyclohexyloxy-N-ethyl-N-methylpropanamide
CID 67009773
4-(2-hydroxyethoxy)-N,N-dimethylcyclohexane-1-carboxamide
CID 66730434
N-butan-2-yl-N-methyl-3-piperidin-4-yloxypropanamide
CID 63875957
[4-(2-methylpropoxy)cyclohexyl]methanol
CID 106825238
4-(1,4-dioxaspiro[4.5]decan-8-yloxy)-N,N-dimethylbutanamide
CID 113414160
N-methyl-3-piperidin-4-yloxy-N-pyridin-4-ylpropanamide
CID 106935070
[4-(hydroxymethyl)cyclohexyl] N-tert-butyl-N-methylcarbamate
CID 165388275
N,N-dimethyl-2-piperidin-4-yloxyacetamide
CID 43346284
3-[2-[2-[2-[3-(dimethylamino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-N,N-dimethylpropanamide
CID 71364213

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide (CID 106825531) is 3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide is CN(C)C(=O)CCOC1CCC(CO)CC1.
What is the InChIKey of 3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide?
The InChIKey is PWKBFCZVBABULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-13(2)12(15)7-8-16-11-5-3-10(9-14)4-6-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of 3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide?
3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide has a molecular weight of 229.32 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)cyclohexyl]oxy-N,N-dimethylpropanamide is sourced from PubChem (CID 106825531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).