2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide

C26H27N3O3 — CID 55959854

IUPAC2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide
SMILESCC(NC(=O)C(Oc1ccccc1C#N)C(C)C)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C26H27N3O3/c1-18(2)25(32-24-9-5-4-8-22(24)15-27)26(30)29-19(3)21-10-12-23(13-11-21)31-17-20-7-6-14-28-16-20/h4-14,16,18-19,25H,17H2,1-3H3,(H,29,30)
InChIKeyDMBAJOKLHIXBIU-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.81
Rot. Bonds9

About 2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide

2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide (PubChem CID 55959854) has the molecular formula C26H27N3O3 and a molecular weight of 429.52 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide
PubChem CID55959854
Molecular FormulaC26H27N3O3
Molecular Weight429.52 g/mol
Exact Mass429.21
IUPAC Name2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide
SMILESCC(NC(=O)C(Oc1ccccc1C#N)C(C)C)c1ccc(OCc2cccnc2)cc1
InChIInChI=1S/C26H27N3O3/c1-18(2)25(32-24-9-5-4-8-22(24)15-27)26(30)29-19(3)21-10-12-23(13-11-21)31-17-20-7-6-14-28-16-20/h4-14,16,18-19,25H,17H2,1-3H3,(H,29,30)
InChIKeyDMBAJOKLHIXBIU-UHFFFAOYSA-N
XLogP4.81
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide with MolForge

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Related Compounds

1-(2-cyano-4-fluorophenyl)-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 78895874
5-bromo-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 55692986
2-propan-2-ylsulfanyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 55967852
5-(methoxymethyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]furan-2-carboxamide
CID 78872272
2-(2-phenylethoxy)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 86871872
N-[3-oxo-1-phenyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethylamino]propyl]benzamide
CID 55693376
2-(2-cyanophenoxy)-N-[1-(4-ethylphenyl)ethyl]propanamide
CID 46525689
2-[[[(1S)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95567478
2-(2-oxo-1-pyridinyl)-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]acetamide
CID 46470469
(2S)-N-propan-2-yl-2-[4-(pyridin-3-ylmethoxy)phenoxy]propanamide
CID 94538513
1-(2,2-difluoroethyl)-1-methyl-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 71879259
N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55838629

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide?
The IUPAC name of 2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide (CID 55959854) is 2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide is CC(NC(=O)C(Oc1ccccc1C#N)C(C)C)c1ccc(OCc2cccnc2)cc1.
What is the InChIKey of 2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide?
The InChIKey is DMBAJOKLHIXBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O3/c1-18(2)25(32-24-9-5-4-8-22(24)15-27)26(30)29-19(3)21-10-12-23(13-11-21)31-17-20-7-6-14-28-16-20/h4-14,16,18-19,25H,17H2,1-3H3,(H,29,30).
What are the key properties of 2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide?
2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide has a molecular weight of 429.52 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-3-methyl-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]butanamide is sourced from PubChem (CID 55959854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).