3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide

C18H22N2O2 — CID 120608235

IUPAC3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C18H22N2O2/c1-14-5-4-7-16(13-14)22-12-11-20-18(21)10-9-15-6-2-3-8-17(15)19/h2-8,13H,9-12,19H2,1H3,(H,20,21)
InChIKeyQFZUBNLFWVHBSG-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.71
Rot. Bonds7

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

3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide (PubChem CID 120608235) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
PubChem CID120608235
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
SMILESCc1cccc(OCCNC(=O)CCc2ccccc2N)c1
InChIInChI=1S/C18H22N2O2/c1-14-5-4-7-16(13-14)22-12-11-20-18(21)10-9-15-6-2-3-8-17(15)19/h2-8,13H,9-12,19H2,1H3,(H,20,21)
InChIKeyQFZUBNLFWVHBSG-UHFFFAOYSA-N
XLogP2.71
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 28713819
3-(2-aminophenyl)-N-(3-phenoxypropyl)propanamide;hydrochloride
CID 120608352
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
2-(3-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62499528
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 46679754
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 8578267
3-(2-aminophenyl)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]propanamide
CID 120613513
N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 63755365
3-(2-bromophenyl)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 55831044

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide?
The IUPAC name of 3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide (CID 120608235) is 3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide.
What is the SMILES notation for 3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide?
The canonical SMILES for 3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide is Cc1cccc(OCCNC(=O)CCc2ccccc2N)c1.
What is the InChIKey of 3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide?
The InChIKey is QFZUBNLFWVHBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14-5-4-7-16(13-14)22-12-11-20-18(21)10-9-15-6-2-3-8-17(15)19/h2-8,13H,9-12,19H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide?
3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide has a molecular weight of 298.39 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide is sourced from PubChem (CID 120608235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).