5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide

C23H28N2O3 — CID 142783111

About 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide

5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide (PubChem CID 142783111) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

• Compound Name: 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
• PubChem CID: 142783111
• Molecular Formula: C23H28N2O3
• Molecular Weight: 380.49 g/mol
• Exact Mass: 380.21
• IUPAC Name: 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide
• SMILES: COC1=CC=C(C(N)=O)CC1(OC)c1ccc(C(C)(C)CC#N)c(C2CC2)c1
• InChI: InChI=1S/C23H28N2O3/c1-22(2,11-12-24)19-9-8-17(13-18(19)15-5-6-15)23(28-4)14-16(21(25)26)7-10-20(23)27-3/h7-10,13,15H,5-6,11,14H2,1-4H3,(H2,25,26)
• InChIKey: DFSWAXFUGDXORD-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 85.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.49
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?

The IUPAC name of 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide (CID 142783111) is 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide.

What is the SMILES notation for 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?

The canonical SMILES for 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide is COC1=CC=C(C(N)=O)CC1(OC)c1ccc(C(C)(C)CC#N)c(C2CC2)c1.

What is the InChIKey of 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?

The InChIKey is DFSWAXFUGDXORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-22(2,11-12-24)19-9-8-17(13-18(19)15-5-6-15)23(28-4)14-16(21(25)26)7-10-20(23)27-3/h7-10,13,15H,5-6,11,14H2,1-4H3,(H2,25,26).

What are the key properties of 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide?

5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(1-cyano-2-methylpropan-2-yl)-3-cyclopropylphenyl]-4,5-dimethoxycyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142783111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).