N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide

C11H23N3O2 — CID 89263309

IUPACN'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide
SMILESCCC(CC)NC(C)(C)C(=O)NNC(C)=O
InChIInChI=1S/C11H23N3O2/c1-6-9(7-2)12-11(4,5)10(16)14-13-8(3)15/h9,12H,6-7H2,1-5H3,(H,13,15)(H,14,16)
InChIKeyHJRMGUXPEWFFTC-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.71
Rot. Bonds5

About N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide

N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide (PubChem CID 89263309) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide.

Molecular Properties

Compound NameN'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide
PubChem CID89263309
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide
SMILESCCC(CC)NC(C)(C)C(=O)NNC(C)=O
InChIInChI=1S/C11H23N3O2/c1-6-9(7-2)12-11(4,5)10(16)14-13-8(3)15/h9,12H,6-7H2,1-5H3,(H,13,15)(H,14,16)
InChIKeyHJRMGUXPEWFFTC-UHFFFAOYSA-N
XLogP0.71
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide?
The IUPAC name of N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide (CID 89263309) is N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide.
What is the SMILES notation for N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide?
The canonical SMILES for N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide is CCC(CC)NC(C)(C)C(=O)NNC(C)=O.
What is the InChIKey of N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide?
The InChIKey is HJRMGUXPEWFFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-6-9(7-2)12-11(4,5)10(16)14-13-8(3)15/h9,12H,6-7H2,1-5H3,(H,13,15)(H,14,16).
What are the key properties of N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide?
N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide has a molecular weight of 229.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-methyl-2-(pentan-3-ylamino)propanehydrazide is sourced from PubChem (CID 89263309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).