1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide

C23H27N3O3 — CID 108975019

IUPAC1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C23H27N3O3/c1-17-6-2-3-7-18(17)16-24-21(27)23(10-11-23)22(28)25-19-8-4-5-9-20(19)26-12-14-29-15-13-26/h2-9H,10-16H2,1H3,(H,24,27)(H,25,28)
InChIKeySGCAVLYVKZIQJK-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.87
Rot. Bonds6

About 1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108975019) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
PubChem CID108975019
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
SMILESCc1ccccc1CNC(=O)C1(C(=O)Nc2ccccc2N2CCOCC2)CC1
InChIInChI=1S/C23H27N3O3/c1-17-6-2-3-7-18(17)16-24-21(27)23(10-11-23)22(28)25-19-8-4-5-9-20(19)26-12-14-29-15-13-26/h2-9H,10-16H2,1H3,(H,24,27)(H,25,28)
InChIKeySGCAVLYVKZIQJK-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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-[(2-methylphenyl)methyl]-3-(2-morpholin-4-ylphenyl)urea
CID 108897210
1-N-(2-ethylphenyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981735
2-[(2-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996603
1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972809
1-N,1-N'-bis[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974899
1-N'-(2,4-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974963
1-N'-(2,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974964
1-N-[(2-methylphenyl)methyl]-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108974975
1-amino-N-(2-morpholin-4-ylphenyl)cyclopropane-1-carboxamide
CID 65466155
2-methyl-N-(2-morpholin-4-ylphenyl)propanamide
CID 2767049
1-N'-(3,5-dimethylphenyl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108974966
1-N'-(1,3-benzodioxol-5-yl)-1-N-[(2-methylphenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108975024

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108975019) is 1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide is Cc1ccccc1CNC(=O)C1(C(=O)Nc2ccccc2N2CCOCC2)CC1.
What is the InChIKey of 1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is SGCAVLYVKZIQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-17-6-2-3-7-18(17)16-24-21(27)23(10-11-23)22(28)25-19-8-4-5-9-20(19)26-12-14-29-15-13-26/h2-9H,10-16H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide?
1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2-methylphenyl)methyl]-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108975019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).