N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide

C13H25NO3 — CID 147135875

IUPACN-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)OCCC(C)(C)C(C)=O
InChIInChI=1S/C13H25NO3/c1-10(15)12(3,4)7-8-17-13(5,6)9-14-11(2)16/h7-9H2,1-6H3,(H,14,16)
InChIKeyBRDONGQZOWDGIR-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.92
Rot. Bonds7

About N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide

N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide (PubChem CID 147135875) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide
PubChem CID147135875
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide
SMILESCC(=O)NCC(C)(C)OCCC(C)(C)C(C)=O
InChIInChI=1S/C13H25NO3/c1-10(15)12(3,4)7-8-17-13(5,6)9-14-11(2)16/h7-9H2,1-6H3,(H,14,16)
InChIKeyBRDONGQZOWDGIR-UHFFFAOYSA-N
XLogP1.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide?
The IUPAC name of N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide (CID 147135875) is N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide.
What is the SMILES notation for N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide?
The canonical SMILES for N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide is CC(=O)NCC(C)(C)OCCC(C)(C)C(C)=O.
What is the InChIKey of N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide?
The InChIKey is BRDONGQZOWDGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(15)12(3,4)7-8-17-13(5,6)9-14-11(2)16/h7-9H2,1-6H3,(H,14,16).
What are the key properties of N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide?
N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide has a molecular weight of 243.35 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]acetamide is sourced from PubChem (CID 147135875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).