2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate

C32H46FN5O6 — CID 123692596

About 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate (PubChem CID 123692596) has the molecular formula C32H46FN5O6 and a molecular weight of 615.75 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate.

Molecular Properties

• Compound Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
• PubChem CID: 123692596
• Molecular Formula: C32H46FN5O6
• Molecular Weight: 615.75 g/mol
• Exact Mass: 615.34
• IUPAC Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate
• SMILES: CCN(CC)CCN(C(=O)OCCOCCNC(=O)OC(C)(C)C)C(=O)c1c(C)[nH]c(C=C2CNc3ccc(F)cc32)c1C
• InChI: InChI=1S/C32H46FN5O6/c1-8-37(9-2)13-14-38(31(41)43-17-16-42-15-12-34-30(40)44-32(5,6)7)29(39)28-21(3)27(36-22(28)4)18-23-20-35-26-11-10-24(33)19-25(23)26/h10-11,18-19,35-36H,8-9,12-17,20H2,1-7H3,(H,34,40)
• InChIKey: IBPHMJOLKMXQGA-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 125.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.75
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?

The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate (CID 123692596) is 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate.

What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?

The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate is CCN(CC)CCN(C(=O)OCCOCCNC(=O)OC(C)(C)C)C(=O)c1c(C)[nH]c(C=C2CNc3ccc(F)cc32)c1C.

What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?

The InChIKey is IBPHMJOLKMXQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46FN5O6/c1-8-37(9-2)13-14-38(31(41)43-17-16-42-15-12-34-30(40)44-32(5,6)7)29(39)28-21(3)27(36-22(28)4)18-23-20-35-26-11-10-24(33)19-25(23)26/h10-11,18-19,35-36H,8-9,12-17,20H2,1-7H3,(H,34,40).

What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate?

2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate has a molecular weight of 615.75 g/mol, XLogP of 5.20, 13 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl N-[2-(diethylamino)ethyl]-N-[5-[(5-fluoro-1,2-dihydroindol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carbonyl]carbamate is sourced from PubChem (CID 123692596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).