1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide

C15H17N3O3 — CID 109133078

IUPAC1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCNC(=O)C1CC1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H17N3O3/c1-21-6-5-17-14(19)12-8-13(12)15(20)18-11-4-2-3-10(7-11)9-16/h2-4,7,12-13H,5-6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyVHFPXMNKYAHBAS-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.90
Rot. Bonds6

About 1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide

1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109133078) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
PubChem CID109133078
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
SMILESCOCCNC(=O)C1CC1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C15H17N3O3/c1-21-6-5-17-14(19)12-8-13(12)15(20)18-11-4-2-3-10(7-11)9-16/h2-4,7,12-13H,5-6,8H2,1H3,(H,17,19)(H,18,20)
InChIKeyVHFPXMNKYAHBAS-UHFFFAOYSA-N
XLogP0.90
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130608
1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137966
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101
1-N-(3-bromophenyl)-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133234
(3R,6S)-1-N-(3-cyanophenyl)-3-N-(2-methoxyethyl)-6-methylpiperidine-1,3-dicarboxamide
CID 95290519
1-N-(3-cyanophenyl)-2-N-[(2-fluorophenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136011
2-N-(3-chloro-4-methoxyphenyl)-1-N-(3-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143267
1-N-(3,4-difluorophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133083
2-N-(3-cyanophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140997
1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143641
2-N-(3-methoxypropyl)-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109133160

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide (CID 109133078) is 1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide is COCCNC(=O)C1CC1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is VHFPXMNKYAHBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-21-6-5-17-14(19)12-8-13(12)15(20)18-11-4-2-3-10(7-11)9-16/h2-4,7,12-13H,5-6,8H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109133078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).