2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide

C13H28N2O3 — CID 113406919

IUPAC2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)COCC(O)CNC(C)C(=O)NC(C)C
InChIInChI=1S/C13H28N2O3/c1-9(2)7-18-8-12(16)6-14-11(5)13(17)15-10(3)4/h9-12,14,16H,6-8H2,1-5H3,(H,15,17)
InChIKeyUOPCGRFGFCAZAP-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.52
Rot. Bonds9

About 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide

2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide (PubChem CID 113406919) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide
PubChem CID113406919
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide
SMILESCC(C)COCC(O)CNC(C)C(=O)NC(C)C
InChIInChI=1S/C13H28N2O3/c1-9(2)7-18-8-12(16)6-14-11(5)13(17)15-10(3)4/h9-12,14,16H,6-8H2,1-5H3,(H,15,17)
InChIKeyUOPCGRFGFCAZAP-UHFFFAOYSA-N
XLogP0.52
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropylamino)-N-propan-2-ylpropanamide
CID 66169110
1-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 172990455
2-(2,2-difluoroethylamino)-N-propan-2-ylpropanamide
CID 115406651
1-(2-methylpropoxy)-3-(1-methylsulfonylpropan-2-ylamino)propan-2-ol
CID 64631835
1-(methoxyamino)-3-(2-methylpropoxy)propan-2-ol
CID 60702508
methyl 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]acetate
CID 60904481
2-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-N-methylpropanamide
CID 61464333
1-(2-methylbutylamino)-3-(2-methylpropoxy)propan-2-ol
CID 62692862
methyl 2-[[2-hydroxy-3-(2-methoxyethoxy)propyl]amino]propanoate
CID 106989632
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]oxyacetamide
CID 112673777
2-[[3-(2-butoxyethoxy)-2-hydroxypropyl]amino]-N-ethylpropanamide
CID 61477156
methyl 2-[[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]acetate
CID 43089101

Frequently Asked Questions

What is the IUPAC name of 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide?
The IUPAC name of 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide (CID 113406919) is 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide?
The canonical SMILES for 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide is CC(C)COCC(O)CNC(C)C(=O)NC(C)C.
What is the InChIKey of 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide?
The InChIKey is UOPCGRFGFCAZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-9(2)7-18-8-12(16)6-14-11(5)13(17)15-10(3)4/h9-12,14,16H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide?
2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide has a molecular weight of 260.38 g/mol, XLogP of 0.52, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-N-propan-2-ylpropanamide is sourced from PubChem (CID 113406919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).