3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide

C13H26N2O3 — CID 54938914

IUPAC3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
SMILESCC1CCC(OCC(O)CNCCC(N)=O)CC1
InChIInChI=1S/C13H26N2O3/c1-10-2-4-12(5-3-10)18-9-11(16)8-15-7-6-13(14)17/h10-12,15-16H,2-9H2,1H3,(H2,14,17)
InChIKeyNLOIZOAAMYBTGV-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.41
Rot. Bonds8

About 3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide

3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide (PubChem CID 54938914) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
PubChem CID54938914
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
SMILESCC1CCC(OCC(O)CNCCC(N)=O)CC1
InChIInChI=1S/C13H26N2O3/c1-10-2-4-12(5-3-10)18-9-11(16)8-15-7-6-13(14)17/h10-12,15-16H,2-9H2,1H3,(H2,14,17)
InChIKeyNLOIZOAAMYBTGV-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
CID 54938816
1-(2-methoxyethylamino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60632831
1-(4-methylcyclohexyl)oxy-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63964882
1-(4-methylcyclohexyl)oxy-3-(3,3,3-trifluoropropylamino)propan-2-ol
CID 63226621
1-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-2-ol
CID 107152434
1-[(4-methylcyclohexyl)amino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 60633137
2-[2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]ethoxy]acetamide
CID 106237886
1-[2-[cyclopropyl(methyl)amino]ethylamino]-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 62977053
1-(4-methylcyclohexyl)oxy-3-[3-[methyl(propan-2-yl)amino]propylamino]propan-2-ol
CID 106045618
3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
1-(4-methylcyclohexyl)oxy-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63711316
1-(4-methylcyclohexyl)oxy-3-[(2-methyl-2-methylsulfonylpropyl)amino]propan-2-ol
CID 79562330

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide?
The IUPAC name of 3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide (CID 54938914) is 3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide.
What is the SMILES notation for 3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide?
The canonical SMILES for 3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide is CC1CCC(OCC(O)CNCCC(N)=O)CC1.
What is the InChIKey of 3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide?
The InChIKey is NLOIZOAAMYBTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10-2-4-12(5-3-10)18-9-11(16)8-15-7-6-13(14)17/h10-12,15-16H,2-9H2,1H3,(H2,14,17).
What are the key properties of 3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide?
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide is sourced from PubChem (CID 54938914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).