N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide

C11H23N3O2 — CID 126541849

IUPACN-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide
SMILESCCCCCCCN(C)C(=O)CC(=O)NN
InChIInChI=1S/C11H23N3O2/c1-3-4-5-6-7-8-14(2)11(16)9-10(15)13-12/h3-9,12H2,1-2H3,(H,13,15)
InChIKeyJRCZDWSVFNRPOH-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.80
Rot. Bonds8

About N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide

N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide (PubChem CID 126541849) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide.

Molecular Properties

Compound NameN-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide
PubChem CID126541849
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide
SMILESCCCCCCCN(C)C(=O)CC(=O)NN
InChIInChI=1S/C11H23N3O2/c1-3-4-5-6-7-8-14(2)11(16)9-10(15)13-12/h3-9,12H2,1-2H3,(H,13,15)
InChIKeyJRCZDWSVFNRPOH-UHFFFAOYSA-N
XLogP0.80
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-heptyl-N-methyl-malonamide
CID 129719434
3-N-dodecylpropanedihydrazide
CID 21612522
1-Pentylpyrazolidine-3,5-dione
CID 67200198
Amino-(3-amino-3-oxopropyl)-pentanoyl-tridecylazanium
CID 88405102
3-Oxo-3-piperidin-1-ylpropanehydrazide
CID 90180639
ethyl N-(3-hydrazinyl-3-oxopropyl)-N-octylcarbamate
CID 140172638
ethyl N-hexyl-N-(3-hydrazinyl-3-oxopropyl)carbamate
CID 140172647
3-(Heptylamino)propanohydrazide
CID 46736030
3-(Azocan-1-yl)propanehydrazide
CID 63570983
3-[Methyl(pentyl)amino]propanehydrazide
CID 63572527
3-[Cycloheptyl(methyl)amino]propanehydrazide
CID 63574081
1-Hexylpyrazolidine-3,5-dione
CID 131886100

Frequently Asked Questions

What is the IUPAC name of N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide?
The IUPAC name of N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide (CID 126541849) is N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide.
What is the SMILES notation for N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide?
The canonical SMILES for N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide is CCCCCCCN(C)C(=O)CC(=O)NN.
What is the InChIKey of N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide?
The InChIKey is JRCZDWSVFNRPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-4-5-6-7-8-14(2)11(16)9-10(15)13-12/h3-9,12H2,1-2H3,(H,13,15).
What are the key properties of N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide?
N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide has a molecular weight of 229.32 g/mol, XLogP of 0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-3-hydrazinyl-N-methyl-3-oxopropanamide is sourced from PubChem (CID 126541849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).