1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide

C22H27N3O2 — CID 109139479

IUPAC1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)C2CC2C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C22H27N3O2/c1-25(2)18-12-10-17(11-13-18)24-22(27)20-15-19(20)21(26)23-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,19-20H,6,9,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXLEHATUIUQVDNJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.08
Rot. Bonds8

About 1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide

1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109139479) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
PubChem CID109139479
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
SMILESCN(C)c1ccc(NC(=O)C2CC2C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C22H27N3O2/c1-25(2)18-12-10-17(11-13-18)24-22(27)20-15-19(20)21(26)23-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,19-20H,6,9,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyXLEHATUIUQVDNJ-UHFFFAOYSA-N
XLogP3.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N,2-N-bis[4-(dimethylamino)phenyl]cyclopropane-1,2-dicarboxamide
CID 109143918
cis-(1R,2S)-2-methyl-N-(3-phenylpropyl)cyclopropane-1-carboxamide
CID 94014482
1-N-(2-tert-butylphenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139443
N-[3-[4-(dimethylamino)phenyl]propyl]-N'-phenyloxamide
CID 16892017
2-N-[2-(dimethylamino)ethyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133706
1-N-benzyl-1-N-ethyl-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109136764
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160
1-N-(2,3-dichlorophenyl)-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide
CID 109139494
1-N-(4-chlorophenyl)-2-N-[3-(dimethylamino)propyl]cyclopropane-1,2-dicarboxamide
CID 109134057
2-N-[4-(dimethylamino)phenyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141064
1-N-(4-ethylphenyl)-2-N-pentylcyclopropane-1,2-dicarboxamide
CID 109140027

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide (CID 109139479) is 1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide is CN(C)c1ccc(NC(=O)C2CC2C(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is XLEHATUIUQVDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-25(2)18-12-10-17(11-13-18)24-22(27)20-15-19(20)21(26)23-14-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-13,19-20H,6,9,14-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide?
1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 365.48 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(dimethylamino)phenyl]-2-N-(3-phenylpropyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109139479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).