2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide

C20H25NO3 — CID 43904465

IUPAC2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C20H25NO3/c1-14-7-6-8-19(15(14)2)24-16(3)20(22)21(4)13-17-9-11-18(23-5)12-10-17/h6-12,16H,13H2,1-5H3
InChIKeySQUGFMHHICAXBI-UHFFFAOYSA-N
MW327.42 g/mol
LogP3.74
Rot. Bonds6

About 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide

2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide (PubChem CID 43904465) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
PubChem CID43904465
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
SMILESCOc1ccc(CN(C)C(=O)C(C)Oc2cccc(C)c2C)cc1
InChIInChI=1S/C20H25NO3/c1-14-7-6-8-19(15(14)2)24-16(3)20(22)21(4)13-17-9-11-18(23-5)12-10-17/h6-12,16H,13H2,1-5H3
InChIKeySQUGFMHHICAXBI-UHFFFAOYSA-N
XLogP3.74
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-2-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 28631292
N-[(4-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 21368307
(2R)-2-(4-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 42560933
(2S)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 98831423
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide
CID 51155118
(2S)-2-(4-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 42093583
(2R)-N-[(4-methoxyphenyl)methyl]-N-methyl-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100581501
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 78770345
2-(2-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide
CID 132652420
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 43904782
2-(2-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 55575443
N-[[4-(difluoromethoxy)phenyl]methyl]-2-methoxy-N-methylpropanamide
CID 115587549

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide (CID 43904465) is 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide is COc1ccc(CN(C)C(=O)C(C)Oc2cccc(C)c2C)cc1.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide?
The InChIKey is SQUGFMHHICAXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3/c1-14-7-6-8-19(15(14)2)24-16(3)20(22)21(4)13-17-9-11-18(23-5)12-10-17/h6-12,16H,13H2,1-5H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide?
2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide has a molecular weight of 327.42 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(4-methoxyphenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 43904465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).