N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide

C16H25NO2 — CID 90598675

IUPACN-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCOC(CNC(=O)CC(C)(C)C)c1ccccc1C
InChIInChI=1S/C16H25NO2/c1-12-8-6-7-9-13(12)14(19-5)11-17-15(18)10-16(2,3)4/h6-9,14H,10-11H2,1-5H3,(H,17,18)
InChIKeyMOXGOEJMYODTRL-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.23
Rot. Bonds5

About N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide

N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide (PubChem CID 90598675) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
PubChem CID90598675
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
SMILESCOC(CNC(=O)CC(C)(C)C)c1ccccc1C
InChIInChI=1S/C16H25NO2/c1-12-8-6-7-9-13(12)14(19-5)11-17-15(18)10-16(2,3)4/h6-9,14H,10-11H2,1-5H3,(H,17,18)
InChIKeyMOXGOEJMYODTRL-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide 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

1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
3-cyclopentyl-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598691
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
CID 97417882
2-(4-ethoxyphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]acetamide
CID 90598744
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
3-(2-fluorophenyl)-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 97417764
1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71810588
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
4-fluoro-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 97417642
N-[2-methoxy-2-(2-methylphenyl)ethyl]cyclohexanecarboxamide
CID 90598682
N'-cyclopropyl-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 71810552
1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417893

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide (CID 90598675) is N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide is COC(CNC(=O)CC(C)(C)C)c1ccccc1C.
What is the InChIKey of N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide?
The InChIKey is MOXGOEJMYODTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12-8-6-7-9-13(12)14(19-5)11-17-15(18)10-16(2,3)4/h6-9,14H,10-11H2,1-5H3,(H,17,18).
What are the key properties of N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide?
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 90598675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).