N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide

C14H19Cl2N3O2 — CID 76919299

IUPACN-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(CC)(C(=O)Nc1c(Cl)ccc(C)c1Cl)C(N)=NO
InChIInChI=1S/C14H19Cl2N3O2/c1-4-14(5-2,12(17)19-21)13(20)18-11-9(15)7-6-8(3)10(11)16/h6-7,21H,4-5H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyULYVONXGLQRKTK-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.79
Rot. Bonds5

About N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide

N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (PubChem CID 76919299) has the molecular formula C14H19Cl2N3O2 and a molecular weight of 332.23 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.

Molecular Properties

Compound NameN-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
PubChem CID76919299
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
Exact Mass331.09
IUPAC NameN-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
SMILESCCC(CC)(C(=O)Nc1c(Cl)ccc(C)c1Cl)C(N)=NO
InChIInChI=1S/C14H19Cl2N3O2/c1-4-14(5-2,12(17)19-21)13(20)18-11-9(15)7-6-8(3)10(11)16/h6-7,21H,4-5H2,1-3H3,(H2,17,19)(H,18,20)
InChIKeyULYVONXGLQRKTK-UHFFFAOYSA-N
XLogP3.79
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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'}

Analyze N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide 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-amino-N-(2,6-dichloro-3-methylphenyl)-2-ethylbutanamide
CID 79809129
(3Z)-3-amino-N-(2,6-dichloro-3-methylphenyl)-3-hydroxyiminopropanamide
CID 43156022
N-(3,5-dichlorophenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919932
2-cyano-N-(2,6-dichloro-3-methylphenyl)-2-methylbutanamide
CID 114290912
N-(2,6-dichloro-3-methylphenyl)-2-(N'-hydroxycarbamimidoyl)pentanamide
CID 76924711
N-(3,5-dimethylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76919947
N-(4-chloro-2-iodophenyl)-2-ethyl-2-[(Z)-N'-hydroxycarbamimidoyl]butanamide
CID 107637397
2-ethyl-N-(2-fluorophenyl)-2-(N'-hydroxycarbamimidoyl)butanamide
CID 76920358
2-ethyl-2-(N'-hydroxycarbamimidoyl)-N-(2,3,4-trifluorophenyl)butanamide
CID 76920030
3-(2,6-dichloro-3-methylanilino)-3-oxopropanoic acid
CID 62231070
2-(tert-butylamino)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 27149947
3-amino-N-(2,6-dichlorophenyl)-3-hydroxyimino-2,2-dimethylpropanamide
CID 77069753

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The IUPAC name of N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide (CID 76919299) is N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide.
What is the SMILES notation for N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The canonical SMILES for N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is CCC(CC)(C(=O)Nc1c(Cl)ccc(C)c1Cl)C(N)=NO.
What is the InChIKey of N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
The InChIKey is ULYVONXGLQRKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O2/c1-4-14(5-2,12(17)19-21)13(20)18-11-9(15)7-6-8(3)10(11)16/h6-7,21H,4-5H2,1-3H3,(H2,17,19)(H,18,20).
What are the key properties of N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide?
N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide has a molecular weight of 332.23 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichloro-3-methylphenyl)-2-ethyl-2-(N'-hydroxycarbamimidoyl)butanamide is sourced from PubChem (CID 76919299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).