2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide

C20H25NO2 — CID 18357808

IUPAC2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
SMILESCCC(C(=O)NC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C20H25NO2/c1-5-17(20(22)21-4)18-9-7-6-8-16(18)13-23-19-12-14(2)10-11-15(19)3/h6-12,17H,5,13H2,1-4H3,(H,21,22)
InChIKeyVBBSAOJPYYGLCG-UHFFFAOYSA-N
MW311.43 g/mol
LogP4.12
Rot. Bonds6

About 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide

2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide (PubChem CID 18357808) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
PubChem CID18357808
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
SMILESCCC(C(=O)NC)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C20H25NO2/c1-5-17(20(22)21-4)18-9-7-6-8-16(18)13-23-19-12-14(2)10-11-15(19)3/h6-12,17H,5,13H2,1-4H3,(H,21,22)
InChIKeyVBBSAOJPYYGLCG-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
CID 67121861
2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide
CID 175139513
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
CID 123161205
2-chloro-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 139703547
2-[[2-(diiodomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113511
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfinylacetate
CID 18357827
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfonylacetate
CID 18357810
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-nitroacetic acid
CID 139703544
2-[[2-(dipropoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 67069161
2-[[2-(dibutoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 67069190
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea
CID 21191814
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-oxoacetate
CID 11141051

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide?
The IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide (CID 18357808) is 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide?
The canonical SMILES for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide is CCC(C(=O)NC)c1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide?
The InChIKey is VBBSAOJPYYGLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-5-17(20(22)21-4)18-9-7-6-8-16(18)13-23-19-12-14(2)10-11-15(19)3/h6-12,17H,5,13H2,1-4H3,(H,21,22).
What are the key properties of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide?
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide has a molecular weight of 311.43 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide is sourced from PubChem (CID 18357808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).