2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide

C23H26N4O4 — CID 8781828

IUPAC2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C23H26N4O4/c24-16-18-6-1-4-9-21(18)31-17-22(28)26-20-8-3-2-7-19(20)23(29)25-10-5-11-27-12-14-30-15-13-27/h1-4,6-9H,5,10-15,17H2,(H,25,29)(H,26,28)
InChIKeyOJYCQNTYYFKVLJ-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.03
Rot. Bonds9

About 2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide

2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide (PubChem CID 8781828) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide.

Molecular Properties

Compound Name2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
PubChem CID8781828
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
SMILESN#Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C23H26N4O4/c24-16-18-6-1-4-9-21(18)31-17-22(28)26-20-8-3-2-7-19(20)23(29)25-10-5-11-27-12-14-30-15-13-27/h1-4,6-9H,5,10-15,17H2,(H,25,29)(H,26,28)
InChIKeyOJYCQNTYYFKVLJ-UHFFFAOYSA-N
XLogP2.03
TPSA103.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781822
2-[(4-methylbenzoyl)amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781780
2-[[2-(2-cyanophenoxy)acetyl]amino]benzamide
CID 7560509
2-(2-hydroxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 78784092
2-[3-(4-methoxyphenyl)propanoylamino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781754
N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944134
2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 18189900
2-(2-cyanophenoxy)-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9148844
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
2-[3-(1,4-oxazepan-4-yl)propoxy]benzonitrile
CID 62989022
2-methyl-N-[2-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 27241616
2-(2-cyanophenoxy)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]acetamide
CID 30901944

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The IUPAC name of 2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide (CID 8781828) is 2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide.
What is the SMILES notation for 2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The canonical SMILES for 2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide is N#Cc1ccccc1OCC(=O)Nc1ccccc1C(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
The InChIKey is OJYCQNTYYFKVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c24-16-18-6-1-4-9-21(18)31-17-22(28)26-20-8-3-2-7-19(20)23(29)25-10-5-11-27-12-14-30-15-13-27/h1-4,6-9H,5,10-15,17H2,(H,25,29)(H,26,28).
What are the key properties of 2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide?
2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide has a molecular weight of 422.49 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide is sourced from PubChem (CID 8781828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).