2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide

C19H23NO3 — CID 133211034

IUPAC2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
SMILESCOCc1cccc(NC(=O)C(C)Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H23NO3/c1-13-8-9-18(10-14(13)2)23-15(3)19(21)20-17-7-5-6-16(11-17)12-22-4/h5-11,15H,12H2,1-4H3,(H,20,21)
InChIKeyWWVIETRHFSYCDA-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.86
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide

2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide (PubChem CID 133211034) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
PubChem CID133211034
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
SMILESCOCc1cccc(NC(=O)C(C)Oc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H23NO3/c1-13-8-9-18(10-14(13)2)23-15(3)19(21)20-17-7-5-6-16(11-17)12-22-4/h5-11,15H,12H2,1-4H3,(H,20,21)
InChIKeyWWVIETRHFSYCDA-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide
CID 133164632
2-(3,4-dimethylphenoxy)-N-(3-hydroxyphenyl)propanamide
CID 17342123
(2S)-2-(3,4-dimethylphenoxy)-N-(3-methylphenyl)propanamide
CID 7610576
N-(3-acetylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 17171686
(2S)-N-(3-bromophenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9172441
(2S)-N-[3-(methoxymethyl)phenyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100562241
N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388671
(2R)-N-[3-(methoxymethyl)phenyl]-2-naphthalen-1-yloxypropanamide
CID 99840317
(2S)-2-(3,4-dimethylphenoxy)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 890062
2-(3,4-dimethylphenoxy)-N-(4-methylphenyl)propanamide
CID 53266277
methyl 4-[2-(3,4-dimethylphenoxy)propanoylamino]benzoate
CID 53266248
(2S)-N-(4-bromo-3-methylphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 9173242

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide (CID 133211034) is 2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide is COCc1cccc(NC(=O)C(C)Oc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide?
The InChIKey is WWVIETRHFSYCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-8-9-18(10-14(13)2)23-15(3)19(21)20-17-7-5-6-16(11-17)12-22-4/h5-11,15H,12H2,1-4H3,(H,20,21).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide?
2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[3-(methoxymethyl)phenyl]propanamide is sourced from PubChem (CID 133211034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).