N-[(3-aminophenyl)methyl]-2-ethoxyacetamide

C11H16N2O2 — CID 62499956

IUPACN-[(3-aminophenyl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-2-15-8-11(14)13-7-9-4-3-5-10(12)6-9/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyMNEQMWJCHZAVNA-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.92
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-2-ethoxyacetamide

N-[(3-aminophenyl)methyl]-2-ethoxyacetamide (PubChem CID 62499956) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-2-ethoxyacetamide
PubChem CID62499956
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC NameN-[(3-aminophenyl)methyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NCc1cccc(N)c1
InChIInChI=1S/C11H16N2O2/c1-2-15-8-11(14)13-7-9-4-3-5-10(12)6-9/h3-6H,2,7-8,12H2,1H3,(H,13,14)
InChIKeyMNEQMWJCHZAVNA-UHFFFAOYSA-N
XLogP0.92
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-[(3-aminophenyl)methylamino]-3-oxopropanoate
CID 110480910
N-[(3-aminophenyl)methyl]-2-propan-2-yloxyacetamide
CID 112601877
N-[(3-aminophenyl)methyl]-4-methylpentanamide
CID 62500233
2-(3-aminophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 107210221
N-[(3-aminophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62553117
3-[(3-aminophenyl)methyl]-1,1-dimethylurea
CID 79153723
ethyl 2-[(3-aminophenyl)methylamino]acetate
CID 22569795
3-(3-aminophenyl)-N-[(3-fluorophenyl)methyl]propanamide
CID 43309221
N-[(3-aminophenyl)methyl]-2-ethoxybenzamide
CID 62499627
N-[(3-aminophenyl)methyl]-3-phenoxypropanamide
CID 62499937
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
N-[(3-aminophenyl)methyl]-2-oxoacetamide
CID 89088482

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-2-ethoxyacetamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-2-ethoxyacetamide (CID 62499956) is N-[(3-aminophenyl)methyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-2-ethoxyacetamide is CCOCC(=O)NCc1cccc(N)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-2-ethoxyacetamide?
The InChIKey is MNEQMWJCHZAVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-15-8-11(14)13-7-9-4-3-5-10(12)6-9/h3-6H,2,7-8,12H2,1H3,(H,13,14).
What are the key properties of N-[(3-aminophenyl)methyl]-2-ethoxyacetamide?
N-[(3-aminophenyl)methyl]-2-ethoxyacetamide has a molecular weight of 208.26 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-2-ethoxyacetamide is sourced from PubChem (CID 62499956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).