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

Analyze N-methyl-2-(2-methylpropanoylamino)-3-(2-methylpropoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(cycloheptylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171593836
3-(cyclopentylmethoxy)-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594077
2-acetamido-3-(2-cyclohexylethoxy)-N-methylbutanamide
CID 164604698
2-acetamido-3-(cyclopentylmethoxy)-N-methylbutanamide
CID 164605032
3-[acetyl(cyclohexylmethyl)amino]-N-methyl-2-(2-methylpropanoylamino)butanamide
CID 171594058
2-methyl-N-[1-[[1-[[1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71340573
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
2-acetamido-3-[(4,4-dimethylcyclohexyl)methoxy]-N-methylbutanamide
CID 174329363
2-acetamido-N-methyl-3-(oxan-4-ylmethoxy)butanamide;ethane
CID 164604737
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 145135261
[(2R,3S)-3-acetamido-4-(methylamino)-4-oxobutan-2-yl] dihydrogen phosphate
CID 102038450
2-acetamido-N-methyl-3-phenylmethoxybutanamide;butane;ethane;methanamine
CID 170755656

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).