N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide

C18H22N2O3 — CID 119547548

IUPACN-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
SMILESNc1ccc(CCNC(=O)COCCOc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c19-16-8-6-15(7-9-16)10-11-20-18(21)14-22-12-13-23-17-4-2-1-3-5-17/h1-9H,10-14,19H2,(H,20,21)
InChIKeyGAGJBEWRCMOFOW-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.02
Rot. Bonds9

About N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide

N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide (PubChem CID 119547548) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
PubChem CID119547548
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC NameN-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide
SMILESNc1ccc(CCNC(=O)COCCOc2ccccc2)cc1
InChIInChI=1S/C18H22N2O3/c19-16-8-6-15(7-9-16)10-11-20-18(21)14-22-12-13-23-17-4-2-1-3-5-17/h1-9H,10-14,19H2,(H,20,21)
InChIKeyGAGJBEWRCMOFOW-UHFFFAOYSA-N
XLogP2.02
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
N-[2-(4-aminophenyl)ethyl]-3-phenylpropanamide
CID 39367183
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-[2-(methanesulfonamido)ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47034582
N-[2-(4-aminophenyl)ethyl]-5-(4-bromophenoxy)pentanamide;hydrochloride
CID 119547618
N-[2-(4-fluorophenyl)ethyl]-3-phenoxypropanamide
CID 110755527
N-[2-(4-aminophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 119548058
3-[2-(4-aminophenyl)ethylamino]-3-oxopropanoic acid
CID 110480212
N-methyl-2-[2-[3-[4-[2-[[2-[3-[2-(4-methylphenoxy)ethoxy]propoxy]acetyl]amino]ethyl]phenoxy]propoxy]ethoxy]acetamide
CID 134582626
N-[2-(4-aminophenyl)ethyl]-4-(3-bromophenoxy)butanamide
CID 119548665
N-[2-(4-aminophenyl)ethyl]-3-(3,5-dimethylphenoxy)propanamide
CID 119548986

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide (CID 119547548) is N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide is Nc1ccc(CCNC(=O)COCCOc2ccccc2)cc1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
The InChIKey is GAGJBEWRCMOFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c19-16-8-6-15(7-9-16)10-11-20-18(21)14-22-12-13-23-17-4-2-1-3-5-17/h1-9H,10-14,19H2,(H,20,21).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide?
N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-2-(2-phenoxyethoxy)acetamide is sourced from PubChem (CID 119547548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).