N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide

C21H27NO5 — CID 9477565

IUPACN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)N[C@@H](C)c1cc(OC)ccc1OC
InChIInChI=1S/C21H27NO5/c1-5-12-26-19-8-6-7-9-20(19)27-14-21(23)22-15(2)17-13-16(24-3)10-11-18(17)25-4/h6-11,13,15H,5,12,14H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyYQJFUCPRZOOEQO-HNNXBMFYSA-N
MW373.45 g/mol
LogP3.75
Rot. Bonds10

About N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide

N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide (PubChem CID 9477565) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide
PubChem CID9477565
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC NameN-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide
SMILESCCCOc1ccccc1OCC(=O)N[C@@H](C)c1cc(OC)ccc1OC
InChIInChI=1S/C21H27NO5/c1-5-12-26-19-8-6-7-9-20(19)27-14-21(23)22-15(2)17-13-16(24-3)10-11-18(17)25-4/h6-11,13,15H,5,12,14H2,1-4H3,(H,22,23)/t15-/m0/s1
InChIKeyYQJFUCPRZOOEQO-HNNXBMFYSA-N
XLogP3.75
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dichlorophenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9286615
2-(1-bromonaphthalen-2-yl)oxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 26020085
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 40795239
2-(2-ethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144695
2-(2,5-dimethoxyphenyl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28560338
2-dibenzofuran-2-yloxy-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9229933
N-[1-(2,5-dimethoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 85019951
2-anilino-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 119691812
2-(4-fluorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 51144558
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(4-ethylphenyl)acetamide
CID 100562771
N-[1-(2-bromophenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 16548373

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide?
The IUPAC name of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide (CID 9477565) is N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide.
What is the SMILES notation for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide?
The canonical SMILES for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide is CCCOc1ccccc1OCC(=O)N[C@@H](C)c1cc(OC)ccc1OC.
What is the InChIKey of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide?
The InChIKey is YQJFUCPRZOOEQO-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-5-12-26-19-8-6-7-9-20(19)27-14-21(23)22-15(2)17-13-16(24-3)10-11-18(17)25-4/h6-11,13,15H,5,12,14H2,1-4H3,(H,22,23)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide?
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide has a molecular weight of 373.45 g/mol, XLogP of 3.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-(2-propoxyphenoxy)acetamide is sourced from PubChem (CID 9477565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).