2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide

C19H23NO3 — CID 67121861

IUPAC2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(CO)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C19H23NO3/c1-13-8-9-14(2)18(10-13)23-12-15-6-4-5-7-16(15)17(11-21)19(22)20-3/h4-10,17,21H,11-12H2,1-3H3,(H,20,22)
InChIKeyPEJVAVAHXYWDSO-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.70
Rot. Bonds6

About 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide

2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide (PubChem CID 67121861) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide.

Molecular Properties

Compound Name2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
PubChem CID67121861
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
SMILESCNC(=O)C(CO)c1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C19H23NO3/c1-13-8-9-14(2)18(10-13)23-12-15-6-4-5-7-16(15)17(11-21)19(22)20-3/h4-10,17,21H,11-12H2,1-3H3,(H,20,22)
InChIKeyPEJVAVAHXYWDSO-UHFFFAOYSA-N
XLogP2.70
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
CID 18357808
2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide
CID 175139513
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfonylacetate
CID 18357810
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
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-nitroacetic acid
CID 139703544
2-[[2-(dipropoxymethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 67069161
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea
CID 21191814
2-[[2-(bromomethyl)phenyl]methoxy]-1,4-dimethylbenzene
CID 90113514
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]-3-hydroxy-N-methylpropanamide?
The IUPAC name of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide (CID 67121861) is 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide.
What is the SMILES notation for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide?
The canonical SMILES for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide is CNC(=O)C(CO)c1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide?
The InChIKey is PEJVAVAHXYWDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-8-9-14(2)18(10-13)23-12-15-6-4-5-7-16(15)17(11-21)19(22)20-3/h4-10,17,21H,11-12H2,1-3H3,(H,20,22).
What are the key properties of 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide?
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide is sourced from PubChem (CID 67121861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).