N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide

C7H13N3O4 — CID 61023976

IUPACN-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)NCC1COCCO1
InChIInChI=1S/C7H13N3O4/c8-10-7(12)6(11)9-3-5-4-13-1-2-14-5/h5H,1-4,8H2,(H,9,11)(H,10,12)
InChIKeyOGJOGTFSICJWOA-UHFFFAOYSA-N
MW203.20 g/mol
LogP-2.49
Rot. Bonds2

About N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide

N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide (PubChem CID 61023976) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide
PubChem CID61023976
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide
SMILESNNC(=O)C(=O)NCC1COCCO1
InChIInChI=1S/C7H13N3O4/c8-10-7(12)6(11)9-3-5-4-13-1-2-14-5/h5H,1-4,8H2,(H,9,11)(H,10,12)
InChIKeyOGJOGTFSICJWOA-UHFFFAOYSA-N
XLogP-2.49
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-2.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-amino-2-sulfanylideneethyl)-N-(1,4-dioxan-2-ylmethyl)oxamide
CID 54908307
1-amino-3-(1,4-dioxan-2-ylmethyl)thiourea
CID 61023162
2-amino-N-(1,4-dioxan-2-ylmethyl)-2-methylpropanamide
CID 61266429
3-amino-N-(1,4-dioxan-2-ylmethyl)-3-methylbutanamide
CID 64676747
3-bromo-N-(1,4-dioxan-2-ylmethyl)prop-2-ynamide
CID 130658361
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)carbamodithioate
CID 58922130
N-(1,4-dioxan-2-ylmethyl)hydroxylamine
CID 88551230
N-(1,4-dioxan-2-ylmethyl)-2-methyl-2-(methylamino)propanamide
CID 62847455
5-(1,4-dioxan-2-ylmethylamino)-5-oxopentanoic acid
CID 61023561
1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine
CID 104884344
1,4,7,10,13-pentaoxacyclopentadec-2-ylmethylcarbamodithioic acid
CID 58922113
5-chloro-N-(1,4-dioxan-2-ylmethyl)pentanamide
CID 61023950

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide (CID 61023976) is N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide is NNC(=O)C(=O)NCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide?
The InChIKey is OGJOGTFSICJWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c8-10-7(12)6(11)9-3-5-4-13-1-2-14-5/h5H,1-4,8H2,(H,9,11)(H,10,12).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide?
N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide has a molecular weight of 203.20 g/mol, XLogP of -2.49, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 61023976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).