N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide

C14H21NO2 — CID 3434751

IUPACN-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(CNC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)9-13(16)15-10-11-5-7-12(17-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyWHSZPHKKQIARNF-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.75
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide

N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide (PubChem CID 3434751) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
PubChem CID3434751
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide
SMILESCOc1ccc(CNC(=O)CC(C)(C)C)cc1
InChIInChI=1S/C14H21NO2/c1-14(2,3)9-13(16)15-10-11-5-7-12(17-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,15,16)
InChIKeyWHSZPHKKQIARNF-UHFFFAOYSA-N
XLogP2.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-amino-4,4,4-trifluoro-N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 67982847
N-[(4-methoxyphenyl)methyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604876
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-aminophenyl)methyl]-3,3-dimethylbutanamide
CID 60893152
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
N-[(4-methoxyphenyl)methyl]-3-methylbutanamide
CID 877839
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N'-hydroxy-N-[(4-methoxyphenyl)methyl]heptanediamide
CID 71661021
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide (CID 3434751) is N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide is COc1ccc(CNC(=O)CC(C)(C)C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide?
The InChIKey is WHSZPHKKQIARNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-14(2,3)9-13(16)15-10-11-5-7-12(17-4)8-6-11/h5-8H,9-10H2,1-4H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide?
N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide has a molecular weight of 235.33 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 3434751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).