4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide

C16H31NO3 — CID 169106822

IUPAC4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide
SMILESCC(C)COC(C)(C)CC(C)(C)CNC(=O)CCC=O
InChIInChI=1S/C16H31NO3/c1-13(2)10-20-16(5,6)11-15(3,4)12-17-14(19)8-7-9-18/h9,13H,7-8,10-12H2,1-6H3,(H,17,19)
InChIKeyAHZKBUHRQQBHJR-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.95
Rot. Bonds10

About 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide

4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide (PubChem CID 169106822) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide.

Molecular Properties

Compound Name4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide
PubChem CID169106822
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide
SMILESCC(C)COC(C)(C)CC(C)(C)CNC(=O)CCC=O
InChIInChI=1S/C16H31NO3/c1-13(2)10-20-16(5,6)11-15(3,4)12-17-14(19)8-7-9-18/h9,13H,7-8,10-12H2,1-6H3,(H,17,19)
InChIKeyAHZKBUHRQQBHJR-UHFFFAOYSA-N
XLogP2.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]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

N-(4-hydroxy-2,2-dimethylbutyl)-4-oxobutanamide
CID 154969198
2-methylpropane;propane;N-(2,2,4,4-tetramethylhexyl)propanamide
CID 167513354
4-hydroxy-N-(2,2,4-trimethylpentyl)butanamide
CID 115163175
2-methylpropyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 115365837
N-(3-amino-2,2-dimethylpropyl)-6-methylheptanamide
CID 115271093
ethane;[2-methyl-2-(2-methylpropoxy)propyl] 2-(octadecanoylamino)acetate
CID 162764315
4-oxo-N-propan-2-ylbutanamide
CID 87543114
4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropylsulfanyl)pentyl]pentanamide
CID 155721269
7-amino-N-(2,2,4-trimethylpentyl)heptanamide;hydrochloride
CID 119820235
N-(2-hydroxy-2,3-dimethylbutyl)-3-(2-methylpropoxy)propanamide
CID 111484023
3-chloro-N-[3-(3-chloropropanoylamino)-2,2-dimethylpropyl]propanamide
CID 4135025
N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
CID 129177621

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide?
The IUPAC name of 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide (CID 169106822) is 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide.
What is the SMILES notation for 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide?
The canonical SMILES for 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide is CC(C)COC(C)(C)CC(C)(C)CNC(=O)CCC=O.
What is the InChIKey of 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide?
The InChIKey is AHZKBUHRQQBHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-13(2)10-20-16(5,6)11-15(3,4)12-17-14(19)8-7-9-18/h9,13H,7-8,10-12H2,1-6H3,(H,17,19).
What are the key properties of 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide?
4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide has a molecular weight of 285.43 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[2,2,4-trimethyl-4-(2-methylpropoxy)pentyl]butanamide is sourced from PubChem (CID 169106822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).