3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide

C18H32N6O4 — CID 168747530

IUPAC3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide
SMILESCC(C)NNC(=O)CCN(CCC(=O)NNC(C)C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H32N6O4/c1-13(2)19-21-15(25)7-9-23(10-8-16(26)22-20-14(3)4)11-12-24-17(27)5-6-18(24)28/h5-6,13-14,19-20H,7-12H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyBMRPVNDYSHHGLW-UHFFFAOYSA-N
MW396.49 g/mol
LogP-0.95
Rot. Bonds13

About 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide

3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide (PubChem CID 168747530) has the molecular formula C18H32N6O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide.

Molecular Properties

Compound Name3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide
PubChem CID168747530
Molecular FormulaC18H32N6O4
Molecular Weight396.49 g/mol
Exact Mass396.25
IUPAC Name3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide
SMILESCC(C)NNC(=O)CCN(CCC(=O)NNC(C)C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H32N6O4/c1-13(2)19-21-15(25)7-9-23(10-8-16(26)22-20-14(3)4)11-12-24-17(27)5-6-18(24)28/h5-6,13-14,19-20H,7-12H2,1-4H3,(H,21,25)(H,22,26)
InChIKeyBMRPVNDYSHHGLW-UHFFFAOYSA-N
XLogP-0.95
TPSA122.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide?
The IUPAC name of 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide (CID 168747530) is 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide.
What is the SMILES notation for 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide?
The canonical SMILES for 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide is CC(C)NNC(=O)CCN(CCC(=O)NNC(C)C)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide?
The InChIKey is BMRPVNDYSHHGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O4/c1-13(2)19-21-15(25)7-9-23(10-8-16(26)22-20-14(3)4)11-12-24-17(27)5-6-18(24)28/h5-6,13-14,19-20H,7-12H2,1-4H3,(H,21,25)(H,22,26).
What are the key properties of 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide?
3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide has a molecular weight of 396.49 g/mol, XLogP of -0.95, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide is sourced from PubChem (CID 168747530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).