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

C19H23NO3 — CID 53286233

IUPAC2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=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)20-12-16-6-5-7-17(11-16)22-4/h5-11,15H,12H2,1-4H3,(H,20,21)
InChIKeyDHSCWAKDEKDOJS-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.40
Rot. Bonds6

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

2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 53286233) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID53286233
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=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)20-12-16-6-5-7-17(11-16)22-4/h5-11,15H,12H2,1-4H3,(H,20,21)
InChIKeyDHSCWAKDEKDOJS-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 53282955
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132987
(2S)-2-(3-methoxyphenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 100704874
(2R)-N-[(4-fluorophenyl)methyl]-2-(3-methoxyphenoxy)propanamide
CID 92675443
2-(3,4-dimethylphenoxy)-N-[2-(2-methoxyphenoxy)ethyl]propanamide
CID 133211025
N-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-(4-methoxyphenoxy)propanamide
CID 60545308
N-[(3,4-diethoxyphenyl)methyl]-2-(3,4-dimethylphenoxy)propanamide
CID 132655758
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2S)-2-acetamido-N-[(3-methoxyphenyl)methyl]propanamide
CID 34819984
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenoxypropanamide
CID 831480
(2R)-2-(3-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7834533

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide (CID 53286233) is 2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)C(C)Oc2ccc(C)c(C)c2)c1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is DHSCWAKDEKDOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-8-9-18(10-14(13)2)23-15(3)19(21)20-12-16-6-5-7-17(11-16)22-4/h5-11,15H,12H2,1-4H3,(H,20,21).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide?
2-(3,4-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 313.40 g/mol, XLogP of 3.40, 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-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 53286233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).