N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide

C14H30N2O3 — CID 110882196

IUPACN-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(O)COC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-13(2,3)15-12(18)9-16(7)8-11(17)10-19-14(4,5)6/h11,17H,8-10H2,1-7H3,(H,15,18)
InChIKeyVJHPQIACELFYPZ-UHFFFAOYSA-N
MW274.40 g/mol
LogP1.01
Rot. Bonds6

About N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide

N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide (PubChem CID 110882196) has the molecular formula C14H30N2O3 and a molecular weight of 274.40 g/mol. Its IUPAC name is N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide
PubChem CID110882196
Molecular FormulaC14H30N2O3
Molecular Weight274.40 g/mol
Exact Mass274.23
IUPAC NameN-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide
SMILESCN(CC(=O)NC(C)(C)C)CC(O)COC(C)(C)C
InChIInChI=1S/C14H30N2O3/c1-13(2,3)15-12(18)9-16(7)8-11(17)10-19-14(4,5)6/h11,17H,8-10H2,1-7H3,(H,15,18)
InChIKeyVJHPQIACELFYPZ-UHFFFAOYSA-N
XLogP1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[[3-(4-fluorophenoxy)-2-hydroxypropyl]-methylamino]acetamide
CID 110882203
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
N-tert-butyl-2-[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-methylamino]acetamide
CID 110901959
2-[(2-amino-2-sulfanylideneethyl)-methylamino]-N-tert-butylacetamide
CID 4962723
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
CID 62014011
N-cyclopropyl-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62015546
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
2-[(2-hydroxy-3-propan-2-yloxypropyl)-methylamino]acetic acid
CID 63989472
methyl 4-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]benzoate
CID 3744499
N-(cyclopropylmethyl)-2-[(2-hydroxy-3-methoxypropyl)-methylamino]acetamide
CID 62016128
N-tert-butyl-2-[[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]-methylamino]acetamide
CID 111564900

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide?
The IUPAC name of N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide (CID 110882196) is N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide?
The canonical SMILES for N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide is CN(CC(=O)NC(C)(C)C)CC(O)COC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide?
The InChIKey is VJHPQIACELFYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O3/c1-13(2,3)15-12(18)9-16(7)8-11(17)10-19-14(4,5)6/h11,17H,8-10H2,1-7H3,(H,15,18).
What are the key properties of N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide?
N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide has a molecular weight of 274.40 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-methylamino]acetamide is sourced from PubChem (CID 110882196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).