2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide

C12H26N4O2 — CID 55214049

IUPAC2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(C)CCC(=O)NN
InChIInChI=1S/C12H26N4O2/c1-5-16(8-12(18)14-9(2)3)10(4)6-7-11(17)15-13/h9-10H,5-8,13H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyMRWZPURUZPPJBY-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.01
Rot. Bonds8

About 2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide

2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide (PubChem CID 55214049) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide
PubChem CID55214049
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC Name2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(C)CCC(=O)NN
InChIInChI=1S/C12H26N4O2/c1-5-16(8-12(18)14-9(2)3)10(4)6-7-11(17)15-13/h9-10H,5-8,13H2,1-4H3,(H,14,18)(H,15,17)
InChIKeyMRWZPURUZPPJBY-UHFFFAOYSA-N
XLogP-0.01
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 63585709
ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate
CID 82841783
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60646285
4-[ethyl(propan-2-yl)amino]butanehydrazide
CID 63573828
N-ethyl-2-[ethyl-(4-hydrazinyl-4-oxobutan-2-yl)amino]acetamide
CID 63577879
2-[(5-hydrazinyl-5-oxopentan-2-yl)-propylamino]-N,N-dimethylacetamide
CID 63577903
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-methylacetamide
CID 63574231
4-[2-methoxyethyl(3-methoxypropyl)amino]pentanehydrazide
CID 63584376
(2R)-2-amino-N-ethyl-3-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 79012433
(2R)-2-amino-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 93367275
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide (CID 55214049) is 2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(C)CCC(=O)NN.
What is the InChIKey of 2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is MRWZPURUZPPJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-5-16(8-12(18)14-9(2)3)10(4)6-7-11(17)15-13/h9-10H,5-8,13H2,1-4H3,(H,14,18)(H,15,17).
What are the key properties of 2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide?
2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 258.37 g/mol, XLogP of -0.01, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55214049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).