N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

C29H40N4O6 — CID 134215533

About N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (PubChem CID 134215533) has the molecular formula C29H40N4O6 and a molecular weight of 540.66 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
• PubChem CID: 134215533
• Molecular Formula: C29H40N4O6
• Molecular Weight: 540.66 g/mol
• Exact Mass: 540.29
• IUPAC Name: N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide
• SMILES: CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(OCCOCCOCC(C)=O)cc32)c1C
• InChI: InChI=1S/C29H40N4O6/c1-6-33(7-2)11-10-30-29(36)27-20(4)26(31-21(27)5)17-24-23-16-22(8-9-25(23)32-28(24)35)39-15-14-37-12-13-38-18-19(3)34/h8-9,16-17,31H,6-7,10-15,18H2,1-5H3,(H,30,36)(H,32,35)/b24-17-
• InChIKey: UEEWKJNDYSACLM-ULJHMMPZSA-N
• XLogP: 3.20
• TPSA: 121.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 16
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.66
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide (CID 134215533) is N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is CCN(CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(OCCOCCOCC(C)=O)cc32)c1C.

What is the InChIKey of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

The InChIKey is UEEWKJNDYSACLM-ULJHMMPZSA-N. The full InChI is InChI=1S/C29H40N4O6/c1-6-33(7-2)11-10-30-29(36)27-20(4)26(31-21(27)5)17-24-23-16-22(8-9-25(23)32-28(24)35)39-15-14-37-12-13-38-18-19(3)34/h8-9,16-17,31H,6-7,10-15,18H2,1-5H3,(H,30,36)(H,32,35)/b24-17-.

What are the key properties of N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide?

N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide has a molecular weight of 540.66 g/mol, XLogP of 3.20, 16 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(diethylamino)ethyl]-2,4-dimethyl-5-[(Z)-[2-oxo-5-[2-[2-(2-oxopropoxy)ethoxy]ethoxy]-1H-indol-3-ylidene]methyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 134215533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).