2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide

C25H33N3O3 — CID 55959747

IUPAC2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)C(Oc1ccccc1C#N)C(C)C
InChIInChI=1S/C25H33N3O3/c1-5-28(6-2)15-16-30-22-13-9-8-12-21(22)18-27-25(29)24(19(3)4)31-23-14-10-7-11-20(23)17-26/h7-14,19,24H,5-6,15-16,18H2,1-4H3,(H,27,29)
InChIKeyAYSDCDYLFYLDNI-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.00
Rot. Bonds12

About 2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide

2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide (PubChem CID 55959747) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide.

Molecular Properties

Compound Name2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide
PubChem CID55959747
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide
SMILESCCN(CC)CCOc1ccccc1CNC(=O)C(Oc1ccccc1C#N)C(C)C
InChIInChI=1S/C25H33N3O3/c1-5-28(6-2)15-16-30-22-13-9-8-12-21(22)18-27-25(29)24(19(3)4)31-23-14-10-7-11-20(23)17-26/h7-14,19,24H,5-6,15-16,18H2,1-4H3,(H,27,29)
InChIKeyAYSDCDYLFYLDNI-UHFFFAOYSA-N
XLogP4.00
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-cyanophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 60513634
(2R)-2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]propanamide
CID 119848384
2-(2-cyanophenoxy)-3-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55928847
2-[2-(2-cyanophenoxy)ethyl-ethylamino]-N-methylacetamide
CID 61236356
1-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine
CID 111000561
2-chloro-N-[1-[[2-[2-(diethylamino)ethoxy]phenyl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55715360
2-amino-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]benzamide
CID 119946527
4-chloro-N-[2-[[2-(2-cyanophenoxy)-3-methylbutanoyl]amino]ethyl]benzamide
CID 55940470
N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 46480012
2-(4-aminophenyl)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
CID 119848368
2-(2-cyanophenoxy)-3-methyl-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 55939515
2-(2-cyanophenoxy)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-methylbutanamide
CID 55945677

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide?
The IUPAC name of 2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide (CID 55959747) is 2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide.
What is the SMILES notation for 2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide?
The canonical SMILES for 2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide is CCN(CC)CCOc1ccccc1CNC(=O)C(Oc1ccccc1C#N)C(C)C.
What is the InChIKey of 2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide?
The InChIKey is AYSDCDYLFYLDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-5-28(6-2)15-16-30-22-13-9-8-12-21(22)18-27-25(29)24(19(3)4)31-23-14-10-7-11-20(23)17-26/h7-14,19,24H,5-6,15-16,18H2,1-4H3,(H,27,29).
What are the key properties of 2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide?
2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide has a molecular weight of 423.56 g/mol, XLogP of 4.00, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanophenoxy)-N-[[2-[2-(diethylamino)ethoxy]phenyl]methyl]-3-methylbutanamide is sourced from PubChem (CID 55959747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).