3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide

C30H34N4O2 — CID 84567768

About 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide (PubChem CID 84567768) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide.

Molecular Properties

• Compound Name: 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide
• PubChem CID: 84567768
• Molecular Formula: C30H34N4O2
• Molecular Weight: 482.63 g/mol
• Exact Mass: 482.27
• IUPAC Name: 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide
• SMILES: CCc1cccc2c1[nH]c1cc(NC(=O)CCN(CC(=O)Nc3cc(C)ccc3C)C3CC3)ccc12
• InChI: InChI=1S/C30H34N4O2/c1-4-21-6-5-7-25-24-13-10-22(17-27(24)33-30(21)25)31-28(35)14-15-34(23-11-12-23)18-29(36)32-26-16-19(2)8-9-20(26)3/h5-10,13,16-17,23,33H,4,11-12,14-15,18H2,1-3H3,(H,31,35)(H,32,36)
• InChIKey: ZTHVQHRYAKAGPB-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 77.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.63
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide?

The IUPAC name of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide (CID 84567768) is 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide.

What is the SMILES notation for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide?

The canonical SMILES for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide is CCc1cccc2c1[nH]c1cc(NC(=O)CCN(CC(=O)Nc3cc(C)ccc3C)C3CC3)ccc12.

What is the InChIKey of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide?

The InChIKey is ZTHVQHRYAKAGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-4-21-6-5-7-25-24-13-10-22(17-27(24)33-30(21)25)31-28(35)14-15-34(23-11-12-23)18-29(36)32-26-16-19(2)8-9-20(26)3/h5-10,13,16-17,23,33H,4,11-12,14-15,18H2,1-3H3,(H,31,35)(H,32,36).

What are the key properties of 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide?

3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide has a molecular weight of 482.63 g/mol, XLogP of 5.93, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-(8-ethyl-9H-carbazol-2-yl)propanamide is sourced from PubChem (CID 84567768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).