N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide

C9H16N8O2 — CID 135446475

IUPACN-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide
SMILESCC(=O)NC(N)=NN=CC(C)=NN=C(N)NC(C)=O
InChIInChI=1S/C9H16N8O2/c1-5(15-17-9(11)14-7(3)19)4-12-16-8(10)13-6(2)18/h4H,1-3H3,(H3,10,13,16,18)(H3,11,14,17,19)
InChIKeyONCIKFBLCLVLJJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP-1.75
Rot. Bonds3

About N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide

N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide (PubChem CID 135446475) has the molecular formula C9H16N8O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide.

Molecular Properties

Compound NameN-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide
PubChem CID135446475
Molecular FormulaC9H16N8O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide
SMILESCC(=O)NC(N)=NN=CC(C)=NN=C(N)NC(C)=O
InChIInChI=1S/C9H16N8O2/c1-5(15-17-9(11)14-7(3)19)4-12-16-8(10)13-6(2)18/h4H,1-3H3,(H3,10,13,16,18)(H3,11,14,17,19)
InChIKeyONCIKFBLCLVLJJ-UHFFFAOYSA-N
XLogP-1.75
TPSA159.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide?
The IUPAC name of N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide (CID 135446475) is N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide.
What is the SMILES notation for N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide?
The canonical SMILES for N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide is CC(=O)NC(N)=NN=CC(C)=NN=C(N)NC(C)=O.
What is the InChIKey of N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide?
The InChIKey is ONCIKFBLCLVLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N8O2/c1-5(15-17-9(11)14-7(3)19)4-12-16-8(10)13-6(2)18/h4H,1-3H3,(H3,10,13,16,18)(H3,11,14,17,19).
What are the key properties of N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide?
N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide has a molecular weight of 268.28 g/mol, XLogP of -1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[2-[[acetamido(amino)methylidene]hydrazinylidene]propylideneamino]carbamimidoyl]acetamide is sourced from PubChem (CID 135446475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).