N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide

C17H20N2O2 — CID 62098253

IUPACN-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
SMILESCc1cc(N)c(NC(=O)CCOc2ccccc2)cc1C
InChIInChI=1S/C17H20N2O2/c1-12-10-15(18)16(11-13(12)2)19-17(20)8-9-21-14-6-4-3-5-7-14/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20)
InChIKeyGHLINFYLUMNADL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.29
Rot. Bonds5

About N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide

N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide (PubChem CID 62098253) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
PubChem CID62098253
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide
SMILESCc1cc(N)c(NC(=O)CCOc2ccccc2)cc1C
InChIInChI=1S/C17H20N2O2/c1-12-10-15(18)16(11-13(12)2)19-17(20)8-9-21-14-6-4-3-5-7-14/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20)
InChIKeyGHLINFYLUMNADL-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.29
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-(4-amino-2,5-dimethylphenyl)-3-phenoxypropanamide
CID 54521750
N-(2-amino-4,5-dimethylphenyl)-2-phenoxyacetamide
CID 62100305
N-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-3-phenoxypropanamide
CID 110778020
N-(2-amino-6-bromo-4-methylphenyl)-3-phenoxypropanamide
CID 116813639
N-(2-amino-5-chlorophenyl)-4-phenoxybutanamide
CID 28515757
N-(2-amino-4,5-dimethylphenyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103205646
N-(2-iodophenyl)-3-phenoxypropanamide
CID 26087738
N-(4-amino-3-bromophenyl)-3-phenoxypropanamide
CID 82861847
N-(5-tert-butyl-2-methoxyphenyl)-3-phenoxypropanamide
CID 4856932

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide (CID 62098253) is N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide is Cc1cc(N)c(NC(=O)CCOc2ccccc2)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide?
The InChIKey is GHLINFYLUMNADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-10-15(18)16(11-13(12)2)19-17(20)8-9-21-14-6-4-3-5-7-14/h3-7,10-11H,8-9,18H2,1-2H3,(H,19,20).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide?
N-(2-amino-4,5-dimethylphenyl)-3-phenoxypropanamide has a molecular weight of 284.36 g/mol, XLogP of 3.29, 5 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)-3-phenoxypropanamide is sourced from PubChem (CID 62098253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).