2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

C21H27NO5 — CID 132656072

IUPAC2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)Oc2cccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C21H27NO5/c1-13-8-7-9-17(14(13)2)27-15(3)21(23)22-12-16-10-18(24-4)20(26-6)19(11-16)25-5/h7-11,15H,12H2,1-6H3,(H,22,23)
InChIKeyPYCALPUNFBYCNP-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.41
Rot. Bonds8

About 2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide

2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (PubChem CID 132656072) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
PubChem CID132656072
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
SMILESCOc1cc(CNC(=O)C(C)Oc2cccc(C)c2C)cc(OC)c1OC
InChIInChI=1S/C21H27NO5/c1-13-8-7-9-17(14(13)2)27-15(3)21(23)22-12-16-10-18(24-4)20(26-6)19(11-16)25-5/h7-11,15H,12H2,1-6H3,(H,22,23)
InChIKeyPYCALPUNFBYCNP-UHFFFAOYSA-N
XLogP3.41
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218986
(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261490
(2S)-2-(2,3-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99131504
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92685312
2-amino-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119272316
2-(2,3-dimethylphenoxy)-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 46767407
(2S)-2-(2,3-dimethylphenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 28572831
2-(2,3-dimethylphenoxy)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43885247
2-methyl-N-[(2S)-4-methyl-1-oxo-1-[(3,4,5-trimethoxyphenyl)methylamino]pentan-2-yl]benzamide
CID 9483335
(2S)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 100721079

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide (CID 132656072) is 2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is COc1cc(CNC(=O)C(C)Oc2cccc(C)c2C)cc(OC)c1OC.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
The InChIKey is PYCALPUNFBYCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-13-8-7-9-17(14(13)2)27-15(3)21(23)22-12-16-10-18(24-4)20(26-6)19(11-16)25-5/h7-11,15H,12H2,1-6H3,(H,22,23).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide?
2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide has a molecular weight of 373.45 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide is sourced from PubChem (CID 132656072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).