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

C23H31NO5 — CID 31795480

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N(C)CCOc2cc(C)cc(C)c2)cc(OC)c1OC
InChIInChI=1S/C23H31NO5/c1-16-11-17(2)13-19(12-16)29-10-9-24(3)22(25)8-7-18-14-20(26-4)23(28-6)21(15-18)27-5/h11-15H,7-10H2,1-6H3
InChIKeyUAGSYIAWQKRWCM-UHFFFAOYSA-N
MW401.50 g/mol
LogP3.80
Rot. Bonds10

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

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide (PubChem CID 31795480) has the molecular formula C23H31NO5 and a molecular weight of 401.50 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
PubChem CID31795480
Molecular FormulaC23H31NO5
Molecular Weight401.50 g/mol
Exact Mass401.22
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
SMILESCOc1cc(CCC(=O)N(C)CCOc2cc(C)cc(C)c2)cc(OC)c1OC
InChIInChI=1S/C23H31NO5/c1-16-11-17(2)13-19(12-16)29-10-9-24(3)22(25)8-7-18-14-20(26-4)23(28-6)21(15-18)27-5/h11-15H,7-10H2,1-6H3
InChIKeyUAGSYIAWQKRWCM-UHFFFAOYSA-N
XLogP3.80
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(3,4,5-trimethoxyphenyl)propanehydrazide
CID 116845027
N-methoxy-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide
CID 11832915
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
N-[2-(4-methoxyphenoxy)ethyl]-3-(4-methoxyphenyl)-N-methylpropanamide
CID 78794099
5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
CID 82013924
3-(3,4,5-trimethoxyphenyl)propanoyl iodide
CID 152966840
N-methyl-2-phenoxy-N-[2-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 113095748
N-methyl-N-[2-(3-methylphenoxy)ethyl]butanamide
CID 60676013
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137288392
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18157368
3-(3-amino-4,5-dimethoxyphenyl)-N,N-dimethylpropanamide
CID 82070872
3-(4-cyanophenyl)-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 31949840

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide (CID 31795480) is N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide is COc1cc(CCC(=O)N(C)CCOc2cc(C)cc(C)c2)cc(OC)c1OC.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?
The InChIKey is UAGSYIAWQKRWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO5/c1-16-11-17(2)13-19(12-16)29-10-9-24(3)22(25)8-7-18-14-20(26-4)23(28-6)21(15-18)27-5/h11-15H,7-10H2,1-6H3.
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide?
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide has a molecular weight of 401.50 g/mol, XLogP of 3.80, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(3,4,5-trimethoxyphenyl)propanamide is sourced from PubChem (CID 31795480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).