1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide

C23H27N3O3 — CID 109141794

IUPAC1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC2C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C23H27N3O3/c1-15-11-16(2)13-17(12-15)24-22(27)18-14-19(18)23(28)25-20-5-3-4-6-21(20)26-7-9-29-10-8-26/h3-6,11-13,18-19H,7-10,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOXPAYZZFQCUSKT-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.35
Rot. Bonds5

About 1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide

1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109141794) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109141794
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
SMILESCc1cc(C)cc(NC(=O)C2CC2C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C23H27N3O3/c1-15-11-16(2)13-17(12-15)24-22(27)18-14-19(18)23(28)25-20-5-3-4-6-21(20)26-7-9-29-10-8-26/h3-6,11-13,18-19H,7-10,14H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyOXPAYZZFQCUSKT-UHFFFAOYSA-N
XLogP3.35
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(3-methylphenyl)methyl]-1-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109135405
3,5-dimethyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 969408
N-(3,5-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111814
cis-(1R,2S)-3-methylidene-1-N,2-N-bis(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 1120987
(2-morpholin-4-ylphenyl) N-(3,5-dimethylphenyl)carbamate
CID 2813061
N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 43708109
N-(2-bromo-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527541
1-(2,4-dimethylphenyl)-3-(2-morpholin-4-ylphenyl)urea
CID 108991302
2-(N-acetyl-2,4,6-trimethylanilino)-N-(2-morpholin-4-ylphenyl)acetamide
CID 113170062
N-(2-amino-4-methylphenyl)-N'-(2-morpholin-4-ylphenyl)oxamide
CID 108527553
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methylcyclopropane-1-carboxamide
CID 47109483
2-bromo-N-(2-morpholin-4-ylphenyl)propanamide
CID 107903089

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide (CID 109141794) is 1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide is Cc1cc(C)cc(NC(=O)C2CC2C(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of 1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is OXPAYZZFQCUSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-15-11-16(2)13-17(12-15)24-22(27)18-14-19(18)23(28)25-20-5-3-4-6-21(20)26-7-9-29-10-8-26/h3-6,11-13,18-19H,7-10,14H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109141794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).