N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide

C13H19N3O3 — CID 81062151

IUPACN-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H19N3O3/c1-3-19-9-8-16(2)13(17)11-6-4-10(5-7-11)12(14)15-18/h4-7,18H,3,8-9H2,1-2H3,(H2,14,15)
InChIKeyDTNGHSKMXQBZDR-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.89
Rot. Bonds6

About N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide

N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide (PubChem CID 81062151) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
PubChem CID81062151
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
SMILESCCOCCN(C)C(=O)c1ccc(/C(N)=N/O)cc1
InChIInChI=1S/C13H19N3O3/c1-3-19-9-8-16(2)13(17)11-6-4-10(5-7-11)12(14)15-18/h4-7,18H,3,8-9H2,1-2H3,(H2,14,15)
InChIKeyDTNGHSKMXQBZDR-UHFFFAOYSA-N
XLogP0.89
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxyethyl)-N-methylbenzamide
CID 81074695
3-amino-N-(2-ethoxyethyl)-N,4-dimethylbenzamide
CID 81052864
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218
3,5-dibromo-N-(2-ethoxyethyl)-N-methylbenzamide
CID 103909435
N-(cyclopropylmethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 54884608
3-bromo-4-[2-ethoxyethyl(methyl)amino]-N'-hydroxybenzenecarboximidamide
CID 82799716
N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide
CID 76929707
4-[2-ethoxyethyl(ethyl)amino]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77017437
N-(cyclopentylmethyl)-4-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
CID 77003917
N-(2-amino-2-oxoethyl)-N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 103103729
N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
CID 77017462
4-bromo-N-(2-ethoxyethyl)-N-methyl-3-nitrobenzamide
CID 81058314

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide?
The IUPAC name of N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide (CID 81062151) is N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide.
What is the SMILES notation for N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide?
The canonical SMILES for N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide is CCOCCN(C)C(=O)c1ccc(/C(N)=N/O)cc1.
What is the InChIKey of N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide?
The InChIKey is DTNGHSKMXQBZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-19-9-8-16(2)13(17)11-6-4-10(5-7-11)12(14)15-18/h4-7,18H,3,8-9H2,1-2H3,(H2,14,15).
What are the key properties of N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide?
N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide has a molecular weight of 265.31 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide is sourced from PubChem (CID 81062151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).