N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide

C13H26N2O3 — CID 171593775

IUPACN-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC(C)C
InChIInChI=1S/C13H26N2O3/c1-8(2)7-18-10(5)11(13(17)14-6)15-12(16)9(3)4/h8-11H,7H2,1-6H3,(H,14,17)(H,15,16)
InChIKeySENRBCROTKKAGK-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.93
Rot. Bonds7

About N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide

N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide (PubChem CID 171593775) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide.

Molecular Properties

Compound NameN-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide
PubChem CID171593775
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide
SMILESCNC(=O)C(NC(=O)C(C)C)C(C)OCC(C)C
InChIInChI=1S/C13H26N2O3/c1-8(2)7-18-10(5)11(13(17)14-6)15-12(16)9(3)4/h8-11H,7H2,1-6H3,(H,14,17)(H,15,16)
InChIKeySENRBCROTKKAGK-UHFFFAOYSA-N
XLogP0.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide?
The IUPAC name of N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide (CID 171593775) is N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide.
What is the SMILES notation for N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide?
The canonical SMILES for N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide is CNC(=O)C(NC(=O)C(C)C)C(C)OCC(C)C.
What is the InChIKey of N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide?
The InChIKey is SENRBCROTKKAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-8(2)7-18-10(5)11(13(17)14-6)15-12(16)9(3)4/h8-11H,7H2,1-6H3,(H,14,17)(H,15,16).
What are the key properties of N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide?
N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide has a molecular weight of 258.36 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide is sourced from PubChem (CID 171593775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).