3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide

C18H30N7O5P — CID 123642304

IUPAC3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide
SMILESCN(CCC(=O)NN)P(=O)(N(C)CCN1CC=CC1=O)N(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N7O5P/c1-21(10-8-15(26)20-19)31(30,22(2)11-13-24-9-4-5-16(24)27)23(3)12-14-25-17(28)6-7-18(25)29/h4-7H,8-14,19H2,1-3H3,(H,20,26)
InChIKeyIFXQEXZCVSOINL-UHFFFAOYSA-N
MW455.46 g/mol
LogP-1.41
Rot. Bonds12

About 3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide

3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide (PubChem CID 123642304) has the molecular formula C18H30N7O5P and a molecular weight of 455.46 g/mol. Its IUPAC name is 3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide.

Molecular Properties

Compound Name3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide
PubChem CID123642304
Molecular FormulaC18H30N7O5P
Molecular Weight455.46 g/mol
Exact Mass455.20
IUPAC Name3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide
SMILESCN(CCC(=O)NN)P(=O)(N(C)CCN1CC=CC1=O)N(C)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H30N7O5P/c1-21(10-8-15(26)20-19)31(30,22(2)11-13-24-9-4-5-16(24)27)23(3)12-14-25-17(28)6-7-18(25)29/h4-7H,8-14,19H2,1-3H3,(H,20,26)
InChIKeyIFXQEXZCVSOINL-UHFFFAOYSA-N
XLogP-1.41
TPSA139.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.46
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[bis[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]phosphoryl-methylamino]-N-methylpropanamide
CID 118423963
3-(2,5-dioxopyrrol-1-yl)-N'-[3-(2,5-dioxopyrrol-1-yl)propanoyl]propanehydrazide
CID 166060331
3-[2-(2,5-dioxopyrrol-1-yl)ethyl-[3-oxo-3-(2-propan-2-ylhydrazinyl)propyl]amino]-N'-propan-2-ylpropanehydrazide
CID 168747530
3-[2-(2,5-Dioxopyrrol-1-yl)ethyl-(3-hydrazinyl-3-oxopropyl)amino]propanehydrazide
CID 169872809
2-[Bis[3-(2,5-dioxopyrrol-1-yl)propyl]amino]acetohydrazide
CID 156026925

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide?
The IUPAC name of 3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide (CID 123642304) is 3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide.
What is the SMILES notation for 3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide?
The canonical SMILES for 3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide is CN(CCC(=O)NN)P(=O)(N(C)CCN1CC=CC1=O)N(C)CCN1C(=O)C=CC1=O.
What is the InChIKey of 3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide?
The InChIKey is IFXQEXZCVSOINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N7O5P/c1-21(10-8-15(26)20-19)31(30,22(2)11-13-24-9-4-5-16(24)27)23(3)12-14-25-17(28)6-7-18(25)29/h4-7H,8-14,19H2,1-3H3,(H,20,26).
What are the key properties of 3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide?
3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide has a molecular weight of 455.46 g/mol, XLogP of -1.41, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(2,5-dioxopyrrol-1-yl)ethyl-methylamino]-[methyl-[2-(5-oxo-2H-pyrrol-1-yl)ethyl]amino]phosphoryl]-methylamino]propanehydrazide is sourced from PubChem (CID 123642304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).