4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide

C13H26N4O3 — CID 83105075

IUPAC4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(C(=O)NN)C(C)C
InChIInChI=1S/C13H26N4O3/c1-8(2)11(13(19)16-14)17-5-6-20-7-10(17)12(18)15-9(3)4/h8-11H,5-7,14H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyVNWGSYLVFVLHGE-UHFFFAOYSA-N
MW286.38 g/mol
LogP-0.77
Rot. Bonds5

About 4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide

4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide (PubChem CID 83105075) has the molecular formula C13H26N4O3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
PubChem CID83105075
Molecular FormulaC13H26N4O3
Molecular Weight286.38 g/mol
Exact Mass286.20
IUPAC Name4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
SMILESCC(C)NC(=O)C1COCCN1C(C(=O)NN)C(C)C
InChIInChI=1S/C13H26N4O3/c1-8(2)11(13(19)16-14)17-5-6-20-7-10(17)12(18)15-9(3)4/h8-11H,5-7,14H2,1-4H3,(H,15,18)(H,16,19)
InChIKeyVNWGSYLVFVLHGE-UHFFFAOYSA-N
XLogP-0.77
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)morpholine-3-carboxamide
CID 83095756
(3S)-N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 140959044
N,4-di(propan-2-yl)morpholine-3-carboxamide
CID 118118161
4-(5-hydrazinyl-5-oxopentan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105965
4-(4-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106165
4-(1-hydrazinyl-1-oxopropan-2-yl)-N-methylmorpholine-3-carboxamide
CID 83105404
4-(1-aminobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83106097
2-[3-(cyclopropylcarbamoyl)morpholin-4-yl]-3-methylbutanoic acid
CID 83103583
3-N-propan-2-ylmorpholine-3,4-dicarboxamide
CID 83106391
N-propan-2-yl-4-sulfamoylmorpholine-3-carboxamide
CID 112573894
(2R)-3-methyl-2-morpholin-4-ylbutanehydrazide
CID 30403760
4-(6-hydrazinyl-6-oxohexyl)-N-propan-2-ylmorpholine-3-carboxamide
CID 83105862

Frequently Asked Questions

What is the IUPAC name of 4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The IUPAC name of 4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide (CID 83105075) is 4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The canonical SMILES for 4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide is CC(C)NC(=O)C1COCCN1C(C(=O)NN)C(C)C.
What is the InChIKey of 4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
The InChIKey is VNWGSYLVFVLHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3/c1-8(2)11(13(19)16-14)17-5-6-20-7-10(17)12(18)15-9(3)4/h8-11H,5-7,14H2,1-4H3,(H,15,18)(H,16,19).
What are the key properties of 4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide?
4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydrazinyl-3-methyl-1-oxobutan-2-yl)-N-propan-2-ylmorpholine-3-carboxamide is sourced from PubChem (CID 83105075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).