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

C23H27N3O3 — CID 108981735

IUPAC1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C23H27N3O3/c1-2-17-7-3-4-8-18(17)24-21(27)23(11-12-23)22(28)25-19-9-5-6-10-20(19)26-13-15-29-16-14-26/h3-10H,2,11-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyPNFMAFHCLWEXLJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.44
Rot. Bonds6

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

1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108981735) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108981735
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCCc1ccccc1NC(=O)C1(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C23H27N3O3/c1-2-17-7-3-4-8-18(17)24-21(27)23(11-12-23)22(28)25-19-9-5-6-10-20(19)26-13-15-29-16-14-26/h3-10H,2,11-16H2,1H3,(H,24,27)(H,25,28)
InChIKeyPNFMAFHCLWEXLJ-UHFFFAOYSA-N
XLogP3.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108975019
1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972809
N-(2-ethylphenyl)-3-(2-morpholin-4-ylanilino)propanamide
CID 109036145
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
2-ethyl-N-(2-morpholin-4-ylphenyl)butanamide
CID 110756603
1-N'-(2-ethylphenyl)-1-N-propylcyclopropane-1,1-dicarboxamide
CID 108970292
4-ethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 2677776
1-(2-morpholin-4-ylphenyl)-3-propylurea
CID 110755134
1-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108897210
1-(2-morpholin-4-ylphenyl)-3-pentan-3-ylurea
CID 108888338
1-N-benzyl-1-N'-(2-ethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974806

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108981735) is 1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide is CCc1ccccc1NC(=O)C1(C(=O)Nc2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is PNFMAFHCLWEXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-2-17-7-3-4-8-18(17)24-21(27)23(11-12-23)22(28)25-19-9-5-6-10-20(19)26-13-15-29-16-14-26/h3-10H,2,11-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108981735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).