N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide

C11H15N5O2 — CID 177429251

IUPACN-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide
SMILES[H]/N=C(/N=C(\N)NC(=O)c1ccccc1O)N(C)C
InChIInChI=1S/C11H15N5O2/c1-16(2)11(13)15-10(12)14-9(18)7-5-3-4-6-8(7)17/h3-6,17H,1-2H3,(H4,12,13,14,15,18)
InChIKeyLIQVKTLUGOXUMQ-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.07
Rot. Bonds1

About N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide

N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide (PubChem CID 177429251) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide.

Molecular Properties

Compound NameN-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide
PubChem CID177429251
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide
SMILES[H]/N=C(/N=C(\N)NC(=O)c1ccccc1O)N(C)C
InChIInChI=1S/C11H15N5O2/c1-16(2)11(13)15-10(12)14-9(18)7-5-3-4-6-8(7)17/h3-6,17H,1-2H3,(H4,12,13,14,15,18)
InChIKeyLIQVKTLUGOXUMQ-UHFFFAOYSA-N
XLogP-0.07
TPSA114.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide?
The IUPAC name of N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide (CID 177429251) is N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide.
What is the SMILES notation for N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide?
The canonical SMILES for N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide is [H]/N=C(/N=C(\N)NC(=O)c1ccccc1O)N(C)C.
What is the InChIKey of N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide?
The InChIKey is LIQVKTLUGOXUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2/c1-16(2)11(13)15-10(12)14-9(18)7-5-3-4-6-8(7)17/h3-6,17H,1-2H3,(H4,12,13,14,15,18).
What are the key properties of N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide?
N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide has a molecular weight of 249.27 g/mol, XLogP of -0.07, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide is sourced from PubChem (CID 177429251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).