1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide

C18H25N3O4 — CID 108972809

IUPAC1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCNC(=O)C1(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C18H25N3O4/c1-24-11-8-19-16(22)18(6-7-18)17(23)20-14-4-2-3-5-15(14)21-9-12-25-13-10-21/h2-5H,6-13H2,1H3,(H,19,22)(H,20,23)
InChIKeyPOICROZHQKSBJU-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.00
Rot. Bonds7

About 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108972809) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108972809
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCNC(=O)C1(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C18H25N3O4/c1-24-11-8-19-16(22)18(6-7-18)17(23)20-14-4-2-3-5-15(14)21-9-12-25-13-10-21/h2-5H,6-13H2,1H3,(H,19,22)(H,20,23)
InChIKeyPOICROZHQKSBJU-UHFFFAOYSA-N
XLogP1.00
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981735
1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975019
N-(2-methoxyethyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109015107
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972836
N',N'-bis(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527466
4-(2-methoxyethyl)-N-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113105000
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
2-(2-methoxyethylamino)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109166957
1-[2-(2-ethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112971778
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-morpholin-4-ylphenyl)urea
CID 112973391

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108972809) is 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide is COCCNC(=O)C1(C(=O)Nc2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is POICROZHQKSBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-11-8-19-16(22)18(6-7-18)17(23)20-14-4-2-3-5-15(14)21-9-12-25-13-10-21/h2-5H,6-13H2,1H3,(H,19,22)(H,20,23).
What are the key properties of 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).