1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide

C18H22N4O3 — CID 108973717

IUPAC1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2(C(=O)NCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C18H22N4O3/c19-13-14-1-3-15(4-2-14)21-17(24)18(5-6-18)16(23)20-7-8-22-9-11-25-12-10-22/h1-4H,5-12H2,(H,20,23)(H,21,24)
InChIKeyVRJLRNDSULSYKG-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.73
Rot. Bonds6

About 1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide

1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108973717) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108973717
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2(C(=O)NCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C18H22N4O3/c19-13-14-1-3-15(4-2-14)21-17(24)18(5-6-18)16(23)20-7-8-22-9-11-25-12-10-22/h1-4H,5-12H2,(H,20,23)(H,21,24)
InChIKeyVRJLRNDSULSYKG-UHFFFAOYSA-N
XLogP0.73
TPSA94.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.73
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

1-N-(2-morpholin-4-ylethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108973636
1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973678
1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133953
1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973663
1-N'-(4-cyanophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972843
6-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096501
1-N'-(4-cyanophenyl)-1-N-prop-2-enylcyclopropane-1,1-dicarboxamide
CID 108970968
1-N-(2-morpholin-4-ylethyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108973686
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62058920
5-(4-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277590
1-[(4-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095222
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (CID 108973717) is 1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is N#Cc1ccc(NC(=O)C2(C(=O)NCCN3CCOCC3)CC2)cc1.
What is the InChIKey of 1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is VRJLRNDSULSYKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-13-14-1-3-15(4-2-14)21-17(24)18(5-6-18)16(23)20-7-8-22-9-11-25-12-10-22/h1-4H,5-12H2,(H,20,23)(H,21,24).
What are the key properties of 1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).