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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate
CID 154044235
benzyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate
CID 173007580
3-(diaminomethylidene)-1,1-dimethylguanidine;2-[2-(2-hydroxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 71471331
1-carbamimidoylguanidine;methyl 2-hydroxybenzoate
CID 176546663
ethyl N-(2-hydroxybenzoyl)carbamate
CID 175348381
2-hydroxy-N'-(2-hydroxybenzoyl)-N'-methylbenzohydrazide
CID 19854250
N-tert-butyl-2-hydroxybenzamide
CID 139189948
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
3-(2-carbamimidoylphenyl)-1,1-dimethylurea
CID 79153438
cobalt;ethane;bis(2-hydroxybenzamide)
CID 158340960
N,2-dihydroxybenzamide;ethane
CID 91440405
[2-[carbamimidoyl(methyl)amino]acetyl] 2-hydroxybenzoate
CID 87823173

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).