N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide

C18H22N2O2 — CID 28867409

IUPACN-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2ccc(CC)c(N)c2)c1
InChIInChI=1S/C18H22N2O2/c1-3-13-6-5-7-16(10-13)22-12-18(21)20-15-9-8-14(4-2)17(19)11-15/h5-11H,3-4,12,19H2,1-2H3,(H,20,21)
InChIKeyMPUCGODQCOBMIZ-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.41
Rot. Bonds6

About N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide

N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide (PubChem CID 28867409) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide
PubChem CID28867409
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide
SMILESCCc1cccc(OCC(=O)Nc2ccc(CC)c(N)c2)c1
InChIInChI=1S/C18H22N2O2/c1-3-13-6-5-7-16(10-13)22-12-18(21)20-15-9-8-14(4-2)17(19)11-15/h5-11H,3-4,12,19H2,1-2H3,(H,20,21)
InChIKeyMPUCGODQCOBMIZ-UHFFFAOYSA-N
XLogP3.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.41
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-amino-4-ethylphenyl)-2-(3-methoxyphenoxy)acetamide
CID 28867334
2-(3-ethylphenoxy)-N-(4-hydroxyphenyl)acetamide
CID 51186827
2-(3-ethylphenoxy)-N-(3-fluorophenyl)acetamide
CID 2709979
2-amino-N-[3-[[2-(3-ethylphenoxy)acetyl]amino]-4-methylphenyl]acetamide
CID 39192502
dimethyl 5-[[2-(3-ethylphenoxy)acetyl]amino]benzene-1,3-dicarboxylate
CID 2711605
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
2-(3-ethylphenoxy)-N-(4-nitrophenyl)acetamide
CID 2792700
3-[[2-(3-ethylphenoxy)acetyl]amino]-N-methylbenzamide
CID 31524865
2-(3-ethylphenoxy)-N-(3-heptoxyphenyl)acetamide
CID 43912190
2-methylpropyl 4-[[2-(3-ethylphenoxy)acetyl]amino]benzoate
CID 19177259
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
N-(5-amino-6-methyl-2-pyridinyl)-2-(3-ethylphenoxy)acetamide
CID 82330971

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide?
The IUPAC name of N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide (CID 28867409) is N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide?
The canonical SMILES for N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide is CCc1cccc(OCC(=O)Nc2ccc(CC)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide?
The InChIKey is MPUCGODQCOBMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-3-13-6-5-7-16(10-13)22-12-18(21)20-15-9-8-14(4-2)17(19)11-15/h5-11H,3-4,12,19H2,1-2H3,(H,20,21).
What are the key properties of N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide?
N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide has a molecular weight of 298.39 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-ethylphenyl)-2-(3-ethylphenoxy)acetamide is sourced from PubChem (CID 28867409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).