1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

C21H21N3O3 — CID 109143641

IUPAC1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C21H21N3O3/c1-13(2)27-17-8-6-15(7-9-17)23-20(25)18-11-19(18)21(26)24-16-5-3-4-14(10-16)12-22/h3-10,13,18-19H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKPSDPVPRUVCYCK-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.56
Rot. Bonds6

About 1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide

1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109143641) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109143641
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
SMILESCC(C)Oc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(C#N)c2)cc1
InChIInChI=1S/C21H21N3O3/c1-13(2)27-17-8-6-15(7-9-17)23-20(25)18-11-19(18)21(26)24-16-5-3-4-14(10-16)12-22/h3-10,13,18-19H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKPSDPVPRUVCYCK-UHFFFAOYSA-N
XLogP3.56
TPSA91.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-N-(3-chloro-4-methoxyphenyl)-1-N-(3-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109143267
(2S)-2-(4-acetamidophenoxy)-N-(3-cyanophenyl)propanamide
CID 7642457
1-N-(3-cyanophenyl)-2-N-propylcyclopropane-1,2-dicarboxamide
CID 109130608
2-N-(3-cyanophenyl)-1-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140997
1-N-(3-cyanophenyl)-2-N-(2-methoxyethyl)cyclopropane-1,2-dicarboxamide
CID 109133078
1-N-(3-cyanophenyl)-2-N-(4-piperidin-1-ylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143968
1-N-(3-bromophenyl)-2-N-(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 109144038
trans-(1R,2R)-1-N,2-N-bis(4-cyanophenyl)cyclopropane-1,2-dicarboxamide
CID 124628395
1-N-(3-cyanophenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137966
1-N,1-N-diethyl-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139348

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide (CID 109143641) is 1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is CC(C)Oc1ccc(NC(=O)C2CC2C(=O)Nc2cccc(C#N)c2)cc1.
What is the InChIKey of 1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is KPSDPVPRUVCYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-13(2)27-17-8-6-15(7-9-17)23-20(25)18-11-19(18)21(26)24-16-5-3-4-14(10-16)12-22/h3-10,13,18-19H,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide?
1-N-(3-cyanophenyl)-2-N-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.56, 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-(4-propan-2-yloxyphenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).