N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

C15H31NO2 — CID 112605551

IUPACN-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCCCCC(C)(C)CNC(=O)COC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-7-8-9-10-15(5,6)12-16-13(17)11-18-14(2,3)4/h7-12H2,1-6H3,(H,16,17)
InChIKeyRDXNQJHGKGAUBN-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.52
Rot. Bonds8

About N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide

N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (PubChem CID 112605551) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.

Molecular Properties

Compound NameN-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
PubChem CID112605551
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC NameN-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
SMILESCCCCCC(C)(C)CNC(=O)COC(C)(C)C
InChIInChI=1S/C15H31NO2/c1-7-8-9-10-15(5,6)12-16-13(17)11-18-14(2,3)4/h7-12H2,1-6H3,(H,16,17)
InChIKeyRDXNQJHGKGAUBN-UHFFFAOYSA-N
XLogP3.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide 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-Ethylhexyl diglycolamide
CID 129831472
2-ethoxy-N-[[1-(2-methylpropyl)cyclobutyl]methyl]acetamide
CID 71921173
(2S)-2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide
CID 97027349
N-[(2R)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 162785208
N-[(2R)-2-fluoro-5,5,6,6-tetramethyl-4-oxoheptyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 166979412
N-[(2S)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 166979429
N-[(1R)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 167026070
N-[(1S)-1-fluoro-4,4-dimethyl-3-oxopentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 167026071
N-[(2R)-2-fluoro-4,4-dimethyl-3-oxopentyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 167026076
2-(2,2,2-trifluoroethoxy)-N-(2,2,6-trimethylheptan-3-yl)propanamide
CID 60316467
2-methoxy-N-[(1-propylcyclobutyl)methyl]propanamide
CID 71853281
2-ethoxy-N-heptylacetamide
CID 4616582

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The IUPAC name of N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide (CID 112605551) is N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide.
What is the SMILES notation for N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The canonical SMILES for N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is CCCCCC(C)(C)CNC(=O)COC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
The InChIKey is RDXNQJHGKGAUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-7-8-9-10-15(5,6)12-16-13(17)11-18-14(2,3)4/h7-12H2,1-6H3,(H,16,17).
What are the key properties of N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide?
N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide has a molecular weight of 257.42 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylheptyl)-2-[(2-methylpropan-2-yl)oxy]acetamide is sourced from PubChem (CID 112605551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).