N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide

C17H20N2O2 — CID 16781912

IUPACN-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(N)c2C)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-11-7-8-16(12(2)9-11)21-10-17(20)19-15-6-4-5-14(18)13(15)3/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyRKBNXUNOUFODSC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.21
Rot. Bonds4

About N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide

N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 16781912) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID16781912
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2cccc(N)c2C)c(C)c1
InChIInChI=1S/C17H20N2O2/c1-11-7-8-16(12(2)9-11)21-10-17(20)19-15-6-4-5-14(18)13(15)3/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyRKBNXUNOUFODSC-UHFFFAOYSA-N
XLogP3.21
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.21
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-[3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 46761183
2-(2,4-dimethylphenoxy)-N-(2-sulfanylphenyl)acetamide
CID 23932880
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
N-(2-amino-4-methylphenyl)-2-(2-methylphenoxy)acetamide
CID 43376481
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
N-(2-cyanophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 876328
N-(3-acetamido-2-methylphenyl)-2-(2-bromo-4-methylphenoxy)acetamide
CID 24673628
2-(2,4-dimethylphenoxy)-N-pyrimidin-2-ylacetamide
CID 891327
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 4949320
3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-5-fluoro-4-methylbenzamide
CID 86992293
N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 70962503
N-(2,5-dihydroxyphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 59933606

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide (CID 16781912) is N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2cccc(N)c2C)c(C)c1.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is RKBNXUNOUFODSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11-7-8-16(12(2)9-11)21-10-17(20)19-15-6-4-5-14(18)13(15)3/h4-9H,10,18H2,1-3H3,(H,19,20).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide?
N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 284.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 16781912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).