N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide

C16H18N2O2 — CID 62100305

IUPACN-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
SMILESCc1cc(N)c(NC(=O)COc2ccccc2)cc1C
InChIInChI=1S/C16H18N2O2/c1-11-8-14(17)15(9-12(11)2)18-16(19)10-20-13-6-4-3-5-7-13/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyAYFSRUNOAKTZGY-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.90
Rot. Bonds4

About N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide

N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide (PubChem CID 62100305) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
PubChem CID62100305
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
SMILESCc1cc(N)c(NC(=O)COc2ccccc2)cc1C
InChIInChI=1S/C16H18N2O2/c1-11-8-14(17)15(9-12(11)2)18-16(19)10-20-13-6-4-3-5-7-13/h3-9H,10,17H2,1-2H3,(H,18,19)
InChIKeyAYFSRUNOAKTZGY-UHFFFAOYSA-N
XLogP2.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.90
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

N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
CID 62098253
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750
N-(2-amino-5-chloro-4-methylphenyl)-2-(4-bromophenoxy)acetamide
CID 91689036
N-(5-bromo-2-methylphenyl)-2-phenoxyacetamide
CID 43806384
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
N-(2-amino-4,5-dimethoxyphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867331
N-(2-amino-4,5-dimethylphenyl)-2-propan-2-yloxyacetamide
CID 112601871
N-(4-amino-5-chloro-2-methylphenyl)-2-(4-chlorophenoxy)acetamide
CID 104667598
N-[2-methyl-3-[(2-phenoxyacetyl)amino]phenyl]propanamide
CID 38300689
N-(2-aminophenyl)-2-(4-ethoxyphenoxy)acetamide
CID 16782338
2-(3,4-dimethylphenoxy)-N-(2-phenoxyphenyl)acetamide
CID 21368284

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide (CID 62100305) is N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide is Cc1cc(N)c(NC(=O)COc2ccccc2)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide?
The InChIKey is AYFSRUNOAKTZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-14(17)15(9-12(11)2)18-16(19)10-20-13-6-4-3-5-7-13/h3-9H,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide?
N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide has a molecular weight of 270.33 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide is sourced from PubChem (CID 62100305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).