(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide

C23H18N2O4 — CID 7670550

IUPAC(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H18N2O4/c1-15(23(26)25-19-8-11-21-22(12-19)28-14-27-21)29-20-9-6-18(7-10-20)17-4-2-16(13-24)3-5-17/h2-12,15H,14H2,1H3,(H,25,26)/t15-/m0/s1
InChIKeyCNJHPTSQFUZXEK-HNNXBMFYSA-N
MW386.41 g/mol
LogP4.36
Rot. Bonds5

About (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide

(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide (PubChem CID 7670550) has the molecular formula C23H18N2O4 and a molecular weight of 386.41 g/mol. Its IUPAC name is (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide
PubChem CID7670550
Molecular FormulaC23H18N2O4
Molecular Weight386.41 g/mol
Exact Mass386.13
IUPAC Name(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide
SMILESC[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C23H18N2O4/c1-15(23(26)25-19-8-11-21-22(12-19)28-14-27-21)29-20-9-6-18(7-10-20)17-4-2-16(13-24)3-5-17/h2-12,15H,14H2,1H3,(H,25,26)/t15-/m0/s1
InChIKeyCNJHPTSQFUZXEK-HNNXBMFYSA-N
XLogP4.36
TPSA80.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(1,3-benzodioxol-5-yl)-2-(4-bromophenoxy)propanamide
CID 7477288
2-(1,3-benzodioxol-5-yloxy)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17475615
(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propanamide
CID 7908176
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-cyanophenoxy)propanamide
CID 7858145
(2S)-2-[4-(4-cyanophenyl)phenoxy]-N-(3,5-dichlorophenyl)propanamide
CID 7670178
2-(1,3-benzodioxol-5-yloxy)-N-(3,4-dichlorophenyl)propanamide
CID 45147837
N-(1,3-benzodioxol-5-yl)-2-methoxypropanamide
CID 47299436
2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 78762344
(2S)-2-(4-cyanophenoxy)-N-naphthalen-2-ylpropanamide
CID 9412867
1-(1,3-benzodioxol-5-yl)-3-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]urea
CID 27519395
1-(1,3-benzodioxol-5-yl)-3-[[(2R)-2-(4-methylphenoxy)propanoyl]amino]urea
CID 27519394
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-fluorophenoxy)propanamide
CID 7894309

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide?
The IUPAC name of (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide (CID 7670550) is (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide.
What is the SMILES notation for (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide?
The canonical SMILES for (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide is C[C@H](Oc1ccc(-c2ccc(C#N)cc2)cc1)C(=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide?
The InChIKey is CNJHPTSQFUZXEK-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H18N2O4/c1-15(23(26)25-19-8-11-21-22(12-19)28-14-27-21)29-20-9-6-18(7-10-20)17-4-2-16(13-24)3-5-17/h2-12,15H,14H2,1H3,(H,25,26)/t15-/m0/s1.
What are the key properties of (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide?
(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide has a molecular weight of 386.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-cyanophenyl)phenoxy]propanamide is sourced from PubChem (CID 7670550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).