3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide

C12H26N2O3 — CID 54938438

IUPAC3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide
SMILESCC(C)CC(C)OCC(O)CNCCC(N)=O
InChIInChI=1S/C12H26N2O3/c1-9(2)6-10(3)17-8-11(15)7-14-5-4-12(13)16/h9-11,14-15H,4-8H2,1-3H3,(H2,13,16)
InChIKeyLMTVWUSJDAZDBS-UHFFFAOYSA-N
MW246.35 g/mol
LogP0.26
Rot. Bonds10

About 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide

3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide (PubChem CID 54938438) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide
PubChem CID54938438
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Name3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide
SMILESCC(C)CC(C)OCC(O)CNCCC(N)=O
InChIInChI=1S/C12H26N2O3/c1-9(2)6-10(3)17-8-11(15)7-14-5-4-12(13)16/h9-11,14-15H,4-8H2,1-3H3,(H2,13,16)
InChIKeyLMTVWUSJDAZDBS-UHFFFAOYSA-N
XLogP0.26
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 50.26
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

1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
1-(3,3-dimethylbutylamino)-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 115581046
3-[[3-(2-ethoxyethoxy)-2-hydroxypropyl]amino]propanamide
CID 60910580
3-[(3-butoxy-2-hydroxypropyl)amino]propanamide
CID 107262577
3-[[2-hydroxy-3-(4-methylcyclohexyl)oxypropyl]amino]propanamide
CID 54938914
4-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]pentan-2-ol
CID 113376237
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
CID 54938816
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol
CID 115359751
2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2-methylpropan-1-ol
CID 60909433
N-cyclopropyl-2-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]acetamide
CID 54938876
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576
3-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]propanamide
CID 54938962

Frequently Asked Questions

What is the IUPAC name of 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide?
The IUPAC name of 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide (CID 54938438) is 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide.
What is the SMILES notation for 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide?
The canonical SMILES for 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide is CC(C)CC(C)OCC(O)CNCCC(N)=O.
What is the InChIKey of 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide?
The InChIKey is LMTVWUSJDAZDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(2)6-10(3)17-8-11(15)7-14-5-4-12(13)16/h9-11,14-15H,4-8H2,1-3H3,(H2,13,16).
What are the key properties of 3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide?
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]propanamide has a molecular weight of 246.35 g/mol, XLogP of 0.26, 10 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-methylpentan-2-yloxy)propyl]amino]propanamide is sourced from PubChem (CID 54938438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).