N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide

C13H26N2O3 — CID 118669232

IUPACN-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)C)C(C)(C)C(=O)NCCO
InChIInChI=1S/C13H26N2O3/c1-12(2,3)9-10(17)15(6)13(4,5)11(18)14-7-8-16/h16H,7-9H2,1-6H3,(H,14,18)
InChIKeyXQESPQNNINFCTJ-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.77
Rot. Bonds5

About N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide

N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide (PubChem CID 118669232) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide
PubChem CID118669232
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide
SMILESCN(C(=O)CC(C)(C)C)C(C)(C)C(=O)NCCO
InChIInChI=1S/C13H26N2O3/c1-12(2,3)9-10(17)15(6)13(4,5)11(18)14-7-8-16/h16H,7-9H2,1-6H3,(H,14,18)
InChIKeyXQESPQNNINFCTJ-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55121486
CID 61164978
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CID 62845808
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CID 76895062
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CID 79805161
CID 79805161
CID 82961897
CID 82961897
CID 103929405
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CID 107479297
CID 107479297

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide?
The IUPAC name of N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide (CID 118669232) is N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide?
The canonical SMILES for N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide is CN(C(=O)CC(C)(C)C)C(C)(C)C(=O)NCCO.
What is the InChIKey of N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide?
The InChIKey is XQESPQNNINFCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,3)9-10(17)15(6)13(4,5)11(18)14-7-8-16/h16H,7-9H2,1-6H3,(H,14,18).
What are the key properties of N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide?
N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide has a molecular weight of 258.36 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyethylamino)-2-methyl-1-oxopropan-2-yl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 118669232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).