(2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide

C14H19NO3 — CID 92676242

IUPAC(2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)[C@@H](CC)Oc1cccc(OC)c1
InChIInChI=1S/C14H19NO3/c1-4-9-15-14(16)13(5-2)18-12-8-6-7-11(10-12)17-3/h4,6-8,10,13H,1,5,9H2,2-3H3,(H,15,16)/t13-/m1/s1
InChIKeyFBMKRGNXKIPUML-CYBMUJFWSA-N
MW249.31 g/mol
LogP2.15
Rot. Bonds7

About (2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide

(2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide (PubChem CID 92676242) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide
PubChem CID92676242
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide
SMILESC=CCNC(=O)[C@@H](CC)Oc1cccc(OC)c1
InChIInChI=1S/C14H19NO3/c1-4-9-15-14(16)13(5-2)18-12-8-6-7-11(10-12)17-3/h4,6-8,10,13H,1,5,9H2,2-3H3,(H,15,16)/t13-/m1/s1
InChIKeyFBMKRGNXKIPUML-CYBMUJFWSA-N
XLogP2.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
2-(3-methoxyphenoxy)-N-(2-phenylpropyl)butanamide
CID 133240098
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 94019358
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169
2-(3-methoxyphenoxy)-N-(3-methylbutan-2-yl)butanamide
CID 133250034
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
(2R)-N-(4-ethoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679130

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide?
The IUPAC name of (2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide (CID 92676242) is (2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide.
What is the SMILES notation for (2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide?
The canonical SMILES for (2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide is C=CCNC(=O)[C@@H](CC)Oc1cccc(OC)c1.
What is the InChIKey of (2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide?
The InChIKey is FBMKRGNXKIPUML-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-9-15-14(16)13(5-2)18-12-8-6-7-11(10-12)17-3/h4,6-8,10,13H,1,5,9H2,2-3H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide?
(2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide has a molecular weight of 249.31 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide is sourced from PubChem (CID 92676242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).