(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide

C17H17NO4 — CID 95188787

IUPAC(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(-c2ccc3c(c2)OCCO3)c1)C(N)=O
InChIInChI=1S/C17H17NO4/c1-11(17(18)19)22-14-4-2-3-12(9-14)13-5-6-15-16(10-13)21-8-7-20-15/h2-6,9-11H,7-8H2,1H3,(H2,18,19)/t11-/m0/s1
InChIKeyIUWYROYFXJRHDQ-NSHDSACASA-N
MW299.33 g/mol
LogP2.38
Rot. Bonds4

About (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide

(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide (PubChem CID 95188787) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide
PubChem CID95188787
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide
SMILESC[C@H](Oc1cccc(-c2ccc3c(c2)OCCO3)c1)C(N)=O
InChIInChI=1S/C17H17NO4/c1-11(17(18)19)22-14-4-2-3-12(9-14)13-5-6-15-16(10-13)21-8-7-20-15/h2-6,9-11H,7-8H2,1H3,(H2,18,19)/t11-/m0/s1
InChIKeyIUWYROYFXJRHDQ-NSHDSACASA-N
XLogP2.38
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N,N-dimethylbenzamide
CID 56709051
2-[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenoxy]propanamide
CID 70832468
2-[3-(2,6-dimethoxyphenyl)phenoxy]propanamide
CID 56702109
3-[3-(1-amino-1-oxopropan-2-yl)oxyphenyl]-N-ethyl-N-methylbenzamide
CID 121495905
(2S)-2-(3-nitrophenoxy)propanamide
CID 7865254
2-(3-aminophenoxy)propanamide
CID 43115971
(2R)-2-[3-(2-chlorophenyl)phenoxy]propanamide
CID 95205129
2-[3-[2-(dimethylamino)-3-pyridinyl]phenoxy]propanamide
CID 155917601
(2R)-2-[3-(1,2,3,4-tetrahydroisoquinolin-5-yl)phenoxy]propanamide
CID 95554001
3-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridinyl]benzamide
CID 175580971
2-[3-(trifluoromethyl)phenoxy]propanamide
CID 57207149
2,3-dihydro-1,4-benzodioxin-6-yl (2S)-2-aminopropanoate
CID 18392507

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide?
The IUPAC name of (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide (CID 95188787) is (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide.
What is the SMILES notation for (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide?
The canonical SMILES for (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide is C[C@H](Oc1cccc(-c2ccc3c(c2)OCCO3)c1)C(N)=O.
What is the InChIKey of (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide?
The InChIKey is IUWYROYFXJRHDQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H17NO4/c1-11(17(18)19)22-14-4-2-3-12(9-14)13-5-6-15-16(10-13)21-8-7-20-15/h2-6,9-11H,7-8H2,1H3,(H2,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide?
(2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide has a molecular weight of 299.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenoxy]propanamide is sourced from PubChem (CID 95188787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).