N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride

C14H29ClN2O3 — CID 22280869

IUPACN-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride
SMILESCNC1CCC(OCCC(=O)N(C)CCCO)CC1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-15-12-4-6-13(7-5-12)19-11-8-14(18)16(2)9-3-10-17;/h12-13,15,17H,3-11H2,1-2H3;1H
InChIKeyGBKQCFWATKHALW-UHFFFAOYSA-N
MW308.85 g/mol
LogP1.19
Rot. Bonds8

About N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride

N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride (PubChem CID 22280869) has the molecular formula C14H29ClN2O3 and a molecular weight of 308.85 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride
PubChem CID22280869
Molecular FormulaC14H29ClN2O3
Molecular Weight308.85 g/mol
Exact Mass308.19
IUPAC NameN-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride
SMILESCNC1CCC(OCCC(=O)N(C)CCCO)CC1.Cl
InChIInChI=1S/C14H28N2O3.ClH/c1-15-12-4-6-13(7-5-12)19-11-8-14(18)16(2)9-3-10-17;/h12-13,15,17H,3-11H2,1-2H3;1H
InChIKeyGBKQCFWATKHALW-UHFFFAOYSA-N
XLogP1.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride?
The IUPAC name of N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride (CID 22280869) is N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride.
What is the SMILES notation for N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride?
The canonical SMILES for N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride is CNC1CCC(OCCC(=O)N(C)CCCO)CC1.Cl.
What is the InChIKey of N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride?
The InChIKey is GBKQCFWATKHALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3.ClH/c1-15-12-4-6-13(7-5-12)19-11-8-14(18)16(2)9-3-10-17;/h12-13,15,17H,3-11H2,1-2H3;1H.
What are the key properties of N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride?
N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-N-methyl-3-[4-(methylamino)cyclohexyl]oxypropanamide;hydrochloride is sourced from PubChem (CID 22280869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).