4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile

C23H29N3O2 — CID 56542590

IUPAC4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile
SMILESCC(CN1CCOCC1)N(CCOc1ccc(C#N)cc1)Cc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-20(18-25-11-14-27-15-12-25)26(19-22-5-3-2-4-6-22)13-16-28-23-9-7-21(17-24)8-10-23/h2-10,20H,11-16,18-19H2,1H3
InChIKeyRGZGXIFKYIHEIE-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.16
Rot. Bonds9

About 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile

4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile (PubChem CID 56542590) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile
PubChem CID56542590
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile
SMILESCC(CN1CCOCC1)N(CCOc1ccc(C#N)cc1)Cc1ccccc1
InChIInChI=1S/C23H29N3O2/c1-20(18-25-11-14-27-15-12-25)26(19-22-5-3-2-4-6-22)13-16-28-23-9-7-21(17-24)8-10-23/h2-10,20H,11-16,18-19H2,1H3
InChIKeyRGZGXIFKYIHEIE-UHFFFAOYSA-N
XLogP3.16
TPSA48.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzenesulfonamide
CID 56542585
1-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 56570250
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
N-benzyl-2-(4-ethoxyphenyl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56500857
3-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(3-chloro-4-cyanophenyl)propanamide
CID 56570185
4-(2-hydroxy-3-morpholin-4-ylpropoxy)benzonitrile
CID 3746908
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 56542784
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 56570050
2-[4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-2-oxoethoxy]phenyl]acetamide
CID 56500698
N-benzyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-morpholin-4-ylpropan-2-amine
CID 56542746
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-(1-phenylethyl)acetamide
CID 56542719
2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]-N-methyl-N-(1-phenylethyl)acetamide
CID 56542974

Frequently Asked Questions

What is the IUPAC name of 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile?
The IUPAC name of 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile (CID 56542590) is 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile?
The canonical SMILES for 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile is CC(CN1CCOCC1)N(CCOc1ccc(C#N)cc1)Cc1ccccc1.
What is the InChIKey of 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile?
The InChIKey is RGZGXIFKYIHEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-20(18-25-11-14-27-15-12-25)26(19-22-5-3-2-4-6-22)13-16-28-23-9-7-21(17-24)8-10-23/h2-10,20H,11-16,18-19H2,1H3.
What are the key properties of 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile?
4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile has a molecular weight of 379.50 g/mol, XLogP of 3.16, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[benzyl(1-morpholin-4-ylpropan-2-yl)amino]ethoxy]benzonitrile is sourced from PubChem (CID 56542590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).