N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide

C21H25NO5 — CID 133230477

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H25NO5/c1-4-16(27-19-8-6-5-7-17(19)24-3)21(23)22-14(2)15-9-10-18-20(13-15)26-12-11-25-18/h5-10,13-14,16H,4,11-12H2,1-3H3,(H,22,23)
InChIKeyYGEUKADJCBNEJS-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.50
Rot. Bonds7

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide (PubChem CID 133230477) has the molecular formula C21H25NO5 and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide
PubChem CID133230477
Molecular FormulaC21H25NO5
Molecular Weight371.43 g/mol
Exact Mass371.17
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide
SMILESCCC(Oc1ccccc1OC)C(=O)NC(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C21H25NO5/c1-4-16(27-19-8-6-5-7-17(19)24-3)21(23)22-14(2)15-9-10-18-20(13-15)26-12-11-25-18/h5-10,13-14,16H,4,11-12H2,1-3H3,(H,22,23)
InChIKeyYGEUKADJCBNEJS-UHFFFAOYSA-N
XLogP3.50
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 99132356
(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
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 45015101
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methoxypropanamide
CID 115588112
(2S)-2-amino-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide;hydrochloride
CID 119270832
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]butanamide
CID 133230542
2-(2-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250067
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)butanamide
CID 133264453
(2S)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 93488009

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide (CID 133230477) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide is CCC(Oc1ccccc1OC)C(=O)NC(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide?
The InChIKey is YGEUKADJCBNEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO5/c1-4-16(27-19-8-6-5-7-17(19)24-3)21(23)22-14(2)15-9-10-18-20(13-15)26-12-11-25-18/h5-10,13-14,16H,4,11-12H2,1-3H3,(H,22,23).
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide has a molecular weight of 371.43 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(2-methoxyphenoxy)butanamide is sourced from PubChem (CID 133230477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).