N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide

C16H20N4O3 — CID 108944134

IUPACN'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
SMILESN#Cc1ccccc1NC(=O)CC(=O)NCCN1CCOCC1
InChIInChI=1S/C16H20N4O3/c17-12-13-3-1-2-4-14(13)19-16(22)11-15(21)18-5-6-20-7-9-23-10-8-20/h1-4H,5-11H2,(H,18,21)(H,19,22)
InChIKeyWOMZMBWWDXTANM-UHFFFAOYSA-N
MW316.36 g/mol
LogP0.34
Rot. Bonds6

About N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide

N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide (PubChem CID 108944134) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide.

Molecular Properties

Compound NameN'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
PubChem CID108944134
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
SMILESN#Cc1ccccc1NC(=O)CC(=O)NCCN1CCOCC1
InChIInChI=1S/C16H20N4O3/c17-12-13-3-1-2-4-14(13)19-16(22)11-15(21)18-5-6-20-7-9-23-10-8-20/h1-4H,5-11H2,(H,18,21)(H,19,22)
InChIKeyWOMZMBWWDXTANM-UHFFFAOYSA-N
XLogP0.34
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-cyanophenyl)-2-(2-morpholin-4-ylethylamino)pyridine-4-carboxamide
CID 109168139
2-(2-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168019
N'-(2-cyanophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943957
2-[[2-(2-cyanophenoxy)acetyl]amino]-N-(3-morpholin-4-ylpropyl)benzamide
CID 8781828
N'-(2-cyanophenyl)-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42268645
N'-(3,5-dichlorophenyl)-N-(2-morpholin-4-ylethyl)propanediamide
CID 108944127
2-(2-cyanomorpholin-4-yl)-N-(2-cyanophenyl)acetamide
CID 79674698
N'-(2-cyanophenyl)-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]oxamide
CID 42269158
N-(2-cyanophenyl)-N'-(2-fluorophenyl)propanediamide
CID 108954791
2-(2-methoxyanilino)-N-(2-morpholin-4-ylethyl)acetamide
CID 108994975
N-(2-cyanophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 51302573
N-(2-morpholin-4-ylethyl)-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108944086

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The IUPAC name of N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide (CID 108944134) is N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide.
What is the SMILES notation for N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The canonical SMILES for N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide is N#Cc1ccccc1NC(=O)CC(=O)NCCN1CCOCC1.
What is the InChIKey of N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
The InChIKey is WOMZMBWWDXTANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c17-12-13-3-1-2-4-14(13)19-16(22)11-15(21)18-5-6-20-7-9-23-10-8-20/h1-4H,5-11H2,(H,18,21)(H,19,22).
What are the key properties of N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide?
N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide has a molecular weight of 316.36 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyanophenyl)-N-(2-morpholin-4-ylethyl)propanediamide is sourced from PubChem (CID 108944134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).