2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide

C12H21N5O3 — CID 166959682

IUPAC2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide
SMILESC=C/C(=C\C)N(C)C(=O)CNC(=O)CNC(=O)CNN
InChIInChI=1S/C12H21N5O3/c1-4-9(5-2)17(3)12(20)8-15-10(18)6-14-11(19)7-16-13/h4-5,16H,1,6-8,13H2,2-3H3,(H,14,19)(H,15,18)/b9-5+
InChIKeyKZJGXUOVVUAYNI-WEVVVXLNSA-N
MW283.33 g/mol
LogP-1.77
Rot. Bonds8

About 2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide

2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide (PubChem CID 166959682) has the molecular formula C12H21N5O3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide
PubChem CID166959682
Molecular FormulaC12H21N5O3
Molecular Weight283.33 g/mol
Exact Mass283.16
IUPAC Name2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide
SMILESC=C/C(=C\C)N(C)C(=O)CNC(=O)CNC(=O)CNN
InChIInChI=1S/C12H21N5O3/c1-4-9(5-2)17(3)12(20)8-15-10(18)6-14-11(19)7-16-13/h4-5,16H,1,6-8,13H2,2-3H3,(H,14,19)(H,15,18)/b9-5+
InChIKeyKZJGXUOVVUAYNI-WEVVVXLNSA-N
XLogP-1.77
TPSA116.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 5-1.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide (CID 166959682) is 2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide is C=C/C(=C\C)N(C)C(=O)CNC(=O)CNC(=O)CNN.
What is the InChIKey of 2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide?
The InChIKey is KZJGXUOVVUAYNI-WEVVVXLNSA-N. The full InChI is InChI=1S/C12H21N5O3/c1-4-9(5-2)17(3)12(20)8-15-10(18)6-14-11(19)7-16-13/h4-5,16H,1,6-8,13H2,2-3H3,(H,14,19)(H,15,18)/b9-5+.
What are the key properties of 2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide?
2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide has a molecular weight of 283.33 g/mol, XLogP of -1.77, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinylacetyl)amino]-N-[2-[methyl-[(3E)-penta-1,3-dien-3-yl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 166959682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).