2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide

C12H23NO3 — CID 161489281

IUPAC2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide
SMILESCC(C)OCC(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)12(15)13-7-5-6-11(14)8-16-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKeyZEJIZFUDDGTLPE-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.53
Rot. Bonds8

About 2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide

2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide (PubChem CID 161489281) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide
PubChem CID161489281
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide
SMILESCC(C)OCC(=O)CCCNC(=O)C(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)12(15)13-7-5-6-11(14)8-16-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)
InChIKeyZEJIZFUDDGTLPE-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide 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

2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]propanamide
CID 138728413
N-[4-[(2-propan-2-yloxyacetyl)amino]butyl]-2-sulfanylpropanamide
CID 166733071
propan-2-yl 9-(2-methylpropanoylamino)-4-oxononanoate
CID 149116857
N-[5-[[2-(1-iodoethoxy)acetyl]amino]pentyl]-2-methylpropanamide
CID 170007814
N-(4-amino-4-iminobutyl)-2-methylpropanamide
CID 159846506
11,11-dimethyl-1-propan-2-yloxydodecane-2,10-dione
CID 158079491
dimethyl-[3-(2-methylpropanoylamino)propyl]azanium chloride
CID 88863969
2-methyl-N-[4-(methylamino)butyl]propanamide
CID 134337431
2-methyl-N-(9-methyl-8-oxodecyl)propanamide
CID 167573684
2-methyl-N-[5-[(2-propan-2-yloxyacetyl)amino]pentyl]butanamide
CID 166845915
2-methyl-N-(2-sulfanylethyl)propanamide
CID 23374889
N-[3-[3-[3-[[2-(1-iodoethoxy)acetyl]amino]propoxy]propoxy]propyl]-2-methylpropanamide
CID 170007577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide?
The IUPAC name of 2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide (CID 161489281) is 2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide.
What is the SMILES notation for 2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide?
The canonical SMILES for 2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide is CC(C)OCC(=O)CCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide?
The InChIKey is ZEJIZFUDDGTLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)12(15)13-7-5-6-11(14)8-16-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide?
2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide has a molecular weight of 229.32 g/mol, XLogP of 1.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-oxo-5-propan-2-yloxypentyl)propanamide is sourced from PubChem (CID 161489281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).