1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide

C21H21N3O3 — CID 109137966

IUPAC1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2CC2C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H21N3O3/c1-27-17-7-3-4-14(11-17)8-9-23-20(25)18-12-19(18)21(26)24-16-6-2-5-15(10-16)13-22/h2-7,10-11,18-19H,8-9,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyJFEPGEPPXKPAMP-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.50
Rot. Bonds7

About 1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide

1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109137966) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
PubChem CID109137966
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(CCNC(=O)C2CC2C(=O)Nc2cccc(C#N)c2)c1
InChIInChI=1S/C21H21N3O3/c1-27-17-7-3-4-14(11-17)8-9-23-20(25)18-12-19(18)21(26)24-16-6-2-5-15(10-16)13-22/h2-7,10-11,18-19H,8-9,12H2,1H3,(H,23,25)(H,24,26)
InChIKeyJFEPGEPPXKPAMP-UHFFFAOYSA-N
XLogP2.50
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137908
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-(4-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109137909
1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133078
1-N-(3-methoxyphenyl)-2-N-[2-(4-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109138025
1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130608
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462
1-N-(4-tert-butylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137929
2-(3-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001133
2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252
2-N-[2-(3-methoxyphenyl)ethyl]-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130661
1-N-(5-chloro-2-methylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137936
1-N-(3-cyanophenyl)-2-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141101

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide (CID 109137966) is 1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide is COc1cccc(CCNC(=O)C2CC2C(=O)Nc2cccc(C#N)c2)c1.
What is the InChIKey of 1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is JFEPGEPPXKPAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-17-7-3-4-14(11-17)8-9-23-20(25)18-12-19(18)21(26)24-16-6-2-5-15(10-16)13-22/h2-7,10-11,18-19H,8-9,12H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide?
1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.50, 7 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-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109137966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).