N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide

C11H15N3O — CID 176566184

IUPACN-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide
SMILES[H]/N=C(\C)c1c(N)cc(C)cc1NC(C)=O
InChIInChI=1S/C11H15N3O/c1-6-4-9(13)11(7(2)12)10(5-6)14-8(3)15/h4-5,12H,13H2,1-3H3,(H,14,15)/b12-7+
InChIKeyWQUVRUJOTZCVDT-KPKJPENVSA-N
MW205.26 g/mol
LogP1.92
Rot. Bonds2

About N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide

N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide (PubChem CID 176566184) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide
PubChem CID176566184
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide
SMILES[H]/N=C(\C)c1c(N)cc(C)cc1NC(C)=O
InChIInChI=1S/C11H15N3O/c1-6-4-9(13)11(7(2)12)10(5-6)14-8(3)15/h4-5,12H,13H2,1-3H3,(H,14,15)/b12-7+
InChIKeyWQUVRUJOTZCVDT-KPKJPENVSA-N
XLogP1.92
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl N-(2-ethanimidoyl-3-fluoro-5-methylphenyl)carbamate
CID 176566890
N-(3-chloro-2-ethanimidoyl-5-methylphenyl)propanamide
CID 176566314
4-amino-3-ethanimidoyl-6-methyl-1H-pyridin-2-one
CID 176566776
methyl 2,6-diamino-4-methylbenzoate
CID 57005581
ethane;2-ethanimidoyl-N-ethyl-3-fluoro-5-methylaniline
CID 176566452
ethane;2-ethanimidoyl-3-fluoro-4,5-dimethylaniline
CID 176566300
N-(3-chloro-2-ethanimidoyl-5-methylphenyl)oxetan-3-amine
CID 176565933
ethane;N-(2-ethanimidoyl-3-fluoro-5-methylphenyl)oxetan-3-amine
CID 176566077
N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide
CID 126991929
3-chloro-2-ethanimidoyl-5-methylbenzenethiol
CID 176565894
N-(5-amino-4-methyl-2-pyridinyl)acetamide
CID 22063573
N-(2-bromo-5-methyl-3-pyridinyl)acetamide
CID 13467716

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide?
The IUPAC name of N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide (CID 176566184) is N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide.
What is the SMILES notation for N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide?
The canonical SMILES for N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide is [H]/N=C(\C)c1c(N)cc(C)cc1NC(C)=O.
What is the InChIKey of N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide?
The InChIKey is WQUVRUJOTZCVDT-KPKJPENVSA-N. The full InChI is InChI=1S/C11H15N3O/c1-6-4-9(13)11(7(2)12)10(5-6)14-8(3)15/h4-5,12H,13H2,1-3H3,(H,14,15)/b12-7+.
What are the key properties of N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide?
N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide has a molecular weight of 205.26 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-ethanimidoyl-5-methylphenyl)acetamide is sourced from PubChem (CID 176566184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).