3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

C18H22N2O3 — CID 28713819

IUPAC3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCc2ccccc2N)cc1
InChIInChI=1S/C18H22N2O3/c1-22-15-7-9-16(10-8-15)23-13-12-20-18(21)11-6-14-4-2-3-5-17(14)19/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21)
InChIKeyNFKBNVDSTGOVIQ-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.41
Rot. Bonds8

About 3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide

3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (PubChem CID 28713819) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
PubChem CID28713819
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
SMILESCOc1ccc(OCCNC(=O)CCc2ccccc2N)cc1
InChIInChI=1S/C18H22N2O3/c1-22-15-7-9-16(10-8-15)23-13-12-20-18(21)11-6-14-4-2-3-5-17(14)19/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21)
InChIKeyNFKBNVDSTGOVIQ-UHFFFAOYSA-N
XLogP2.41
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminophenyl)-N-[2-(3,5-dimethoxyphenoxy)ethyl]propanamide;hydrochloride
CID 120611913
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120608235
3-(2-aminophenyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]propanamide;hydrochloride
CID 120610734
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
N-[2-(4-methoxyphenoxy)ethyl]-2-(2-methoxyphenyl)acetamide
CID 18119172
N-[2-(2-methoxyphenoxy)ethyl]-3-(2-methoxyphenyl)propanamide
CID 51157212
3-(2-aminophenyl)-N-(3-propan-2-yloxypropyl)propanamide
CID 107272988
methyl 3-[4-[3-(2-aminophenyl)propanoylamino]phenoxy]propanoate
CID 120610132
3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 55831044
3-(3,5-dimethoxyphenyl)-N-(2-phenoxyethyl)propanamide
CID 18111151

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide (CID 28713819) is 3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is COc1ccc(OCCNC(=O)CCc2ccccc2N)cc1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
The InChIKey is NFKBNVDSTGOVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-22-15-7-9-16(10-8-15)23-13-12-20-18(21)11-6-14-4-2-3-5-17(14)19/h2-5,7-10H,6,11-13,19H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide?
3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide has a molecular weight of 314.39 g/mol, XLogP of 2.41, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide is sourced from PubChem (CID 28713819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).