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

C18H22N4O3 — CID 109133953

IUPAC1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2CC2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H22N4O3/c19-12-13-1-3-14(4-2-13)21-18(24)16-11-15(16)17(23)20-5-6-22-7-9-25-10-8-22/h1-4,15-16H,5-11H2,(H,20,23)(H,21,24)
InChIKeyXYBIXXAKSSNKFI-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.58
Rot. Bonds6

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

1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133953) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133953
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
SMILESN#Cc1ccc(NC(=O)C2CC2C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C18H22N4O3/c19-12-13-1-3-14(4-2-13)21-18(24)16-11-15(16)17(23)20-5-6-22-7-9-25-10-8-22/h1-4,15-16H,5-11H2,(H,20,23)(H,21,24)
InChIKeyXYBIXXAKSSNKFI-UHFFFAOYSA-N
XLogP0.58
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 ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(4-ethylphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133886
1-N'-(4-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973717
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
1-N-(2,6-difluorophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133956
1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133807
6-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096501
1-N-(3-chloro-4-methoxyphenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133907
N-(4-cyanophenyl)-3-(1,4-oxazepan-4-yl)propanamide
CID 62058920
1-N-(2,5-dichlorophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109133945
(4S)-3-[(4-cyanophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851166
4-methyl-2-(2-morpholin-4-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114390357
5-(4-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277590

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide (CID 109133953) is 1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide is N#Cc1ccc(NC(=O)C2CC2C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XYBIXXAKSSNKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c19-12-13-1-3-14(4-2-13)21-18(24)16-11-15(16)17(23)20-5-6-22-7-9-25-10-8-22/h1-4,15-16H,5-11H2,(H,20,23)(H,21,24).
What are the key properties of 1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide?
1-N-(4-cyanophenyl)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.58, 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)-2-N-(2-morpholin-4-ylethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).