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

C13H26N2O3 — CID 54938859

IUPAC2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
SMILESCC1CCCC(OCC(O)CNC(C)C(N)=O)C1
InChIInChI=1S/C13H26N2O3/c1-9-4-3-5-12(6-9)18-8-11(16)7-15-10(2)13(14)17/h9-12,15-16H,3-8H2,1-2H3,(H2,14,17)
InChIKeyNJMFUPGWYJGDDL-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.41
Rot. Bonds7

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

2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide (PubChem CID 54938859) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
PubChem CID54938859
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide
SMILESCC1CCCC(OCC(O)CNC(C)C(N)=O)C1
InChIInChI=1S/C13H26N2O3/c1-9-4-3-5-12(6-9)18-8-11(16)7-15-10(2)13(14)17/h9-12,15-16H,3-8H2,1-2H3,(H2,14,17)
InChIKeyNJMFUPGWYJGDDL-UHFFFAOYSA-N
XLogP0.41
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropanamide
CID 61219988
1-[[(1R)-1-cyclopentylethyl]amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 81394530
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methylpentan-1-ol
CID 104891895
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-3-methylbutanamide
CID 104580076
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
ethyl 2-[(3-cyclopentyloxy-2-hydroxypropyl)amino]propanoate
CID 54960187
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
CID 106159746
1-[(1,1-dioxothiolan-3-yl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60633977
ethyl 2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanoate
CID 61499198

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide?
The IUPAC name of 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide (CID 54938859) is 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide?
The canonical SMILES for 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide is CC1CCCC(OCC(O)CNC(C)C(N)=O)C1.
What is the InChIKey of 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide?
The InChIKey is NJMFUPGWYJGDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9-4-3-5-12(6-9)18-8-11(16)7-15-10(2)13(14)17/h9-12,15-16H,3-8H2,1-2H3,(H2,14,17).
What are the key properties of 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide?
2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide has a molecular weight of 258.36 g/mol, XLogP of 0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]propanamide is sourced from PubChem (CID 54938859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).