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

C19H27N3O4 — CID 108973678

IUPAC1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2(C(=O)NCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H27N3O4/c1-2-26-16-5-3-15(4-6-16)21-18(24)19(7-8-19)17(23)20-9-10-22-11-13-25-14-12-22/h3-6H,2,7-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyHTOOYNQWGBMOQF-UHFFFAOYSA-N
MW361.44 g/mol
LogP1.25
Rot. Bonds8

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

1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108973678) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is 1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108973678
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC Name1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
SMILESCCOc1ccc(NC(=O)C2(C(=O)NCCN3CCOCC3)CC2)cc1
InChIInChI=1S/C19H27N3O4/c1-2-26-16-5-3-15(4-6-16)21-18(24)19(7-8-19)17(23)20-9-10-22-11-13-25-14-12-22/h3-6H,2,7-14H2,1H3,(H,20,23)(H,21,24)
InChIKeyHTOOYNQWGBMOQF-UHFFFAOYSA-N
XLogP1.25
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 51.25
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-cyanophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973717
1-(4-ethoxyphenyl)-3-(2-morpholin-4-ylethylcarbamothioylamino)thiourea
CID 8618749
1-N'-(3-chlorophenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108973663
1-N-(2-morpholin-4-ylethyl)-1-N'-[3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108973686
3-ethoxy-N-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]benzamide
CID 48581819
N'-[(4-ethoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 125145042
1-N'-(3,4-difluorophenyl)-1-N-(4-ethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983187
1-N'-butan-2-yl-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide
CID 108971375
2-(4-ethoxyanilino)-6-methyl-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109325380
4-(4-ethoxyanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
CID 16803523
1-(2-morpholin-4-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 62095713

Frequently Asked Questions

What is the IUPAC name of 1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide (CID 108973678) is 1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is CCOc1ccc(NC(=O)C2(C(=O)NCCN3CCOCC3)CC2)cc1.
What is the InChIKey of 1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is HTOOYNQWGBMOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-2-26-16-5-3-15(4-6-16)21-18(24)19(7-8-19)17(23)20-9-10-22-11-13-25-14-12-22/h3-6H,2,7-14H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide?
1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 361.44 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(4-ethoxyphenyl)-1-N-(2-morpholin-4-ylethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108973678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).