2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide

C23H27N3O3 — CID 109135405

IUPAC2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CC2C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C23H27N3O3/c1-16-5-4-6-17(13-16)15-24-22(27)18-14-19(18)23(28)25-20-7-2-3-8-21(20)26-9-11-29-12-10-26/h2-8,13,18-19H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyTXIXYQTUKNQZGT-UHFFFAOYSA-N
MW393.49 g/mol
LogP2.72
Rot. Bonds6

About 2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide

2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109135405) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109135405
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cccc(CNC(=O)C2CC2C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C23H27N3O3/c1-16-5-4-6-17(13-16)15-24-22(27)18-14-19(18)23(28)25-20-7-2-3-8-21(20)26-9-11-29-12-10-26/h2-8,13,18-19H,9-12,14-15H2,1H3,(H,24,27)(H,25,28)
InChIKeyTXIXYQTUKNQZGT-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methylamino]-N-(2-morpholin-4-ylphenyl)acetamide
CID 108996829
1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141794
N-[(3-methylphenyl)methyl]-2-(2-morpholin-4-ylanilino)acetamide
CID 108996983
N-[(3-methylphenyl)methyl]-1-(2-morpholin-4-ylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189983
1-N-(2,4-dimethylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135349
1-N-(3-chloro-2-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135371
3-(3-methylphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
CID 75618828
1-N-(2-ethyl-6-methylphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135358
1-N-(2,4-dimethoxyphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135389
N-[(3-methylphenyl)methyl]oxane-4-carboxamide
CID 30797255
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 1120987
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide (CID 109135405) is 2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide is Cc1cccc(CNC(=O)C2CC2C(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is TXIXYQTUKNQZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-16-5-4-6-17(13-16)15-24-22(27)18-14-19(18)23(28)25-20-7-2-3-8-21(20)26-9-11-29-12-10-26/h2-8,13,18-19H,9-12,14-15H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 393.49 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109135405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).