N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide

C21H27NO5 — CID 133264453

IUPACN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NC(C)c1cc(OC)ccc1OC
InChIInChI=1S/C21H27NO5/c1-6-17(27-20-10-8-7-9-19(20)26-5)21(23)22-14(2)16-13-15(24-3)11-12-18(16)25-4/h7-14,17H,6H2,1-5H3,(H,22,23)
InChIKeyTWEXFRMRXBMJBT-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.75
Rot. Bonds9

About N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide

N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide (PubChem CID 133264453) has the molecular formula C21H27NO5 and a molecular weight of 373.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
PubChem CID133264453
Molecular FormulaC21H27NO5
Molecular Weight373.45 g/mol
Exact Mass373.19
IUPAC NameN-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NC(C)c1cc(OC)ccc1OC
InChIInChI=1S/C21H27NO5/c1-6-17(27-20-10-8-7-9-19(20)26-5)21(23)22-14(2)16-13-15(24-3)11-12-18(16)25-4/h7-14,17H,6H2,1-5H3,(H,22,23)
InChIKeyTWEXFRMRXBMJBT-UHFFFAOYSA-N
XLogP3.75
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 100766872
(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-ethoxybutanamide
CID 94666737
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133262253
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250067
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132356
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381
(2S)-2-(2-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99132352
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132357
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 93488009
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-phenylacetamide
CID 40553494

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide (CID 133264453) is N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide is CCC(Oc1ccccc1OC)C(=O)NC(C)c1cc(OC)ccc1OC.
What is the InChIKey of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide?
The InChIKey is TWEXFRMRXBMJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO5/c1-6-17(27-20-10-8-7-9-19(20)26-5)21(23)22-14(2)16-13-15(24-3)11-12-18(16)25-4/h7-14,17H,6H2,1-5H3,(H,22,23).
What are the key properties of N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide?
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide has a molecular weight of 373.45 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 133264453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).