N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide

C17H20N2O2 — CID 43364213

IUPACN-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OCCC(=O)Nc1ccccc1N
InChIInChI=1S/C17H20N2O2/c1-2-13-7-3-6-10-16(13)21-12-11-17(20)19-15-9-5-4-8-14(15)18/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyRUNKAHVAPPNYHC-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.24
Rot. Bonds6

About N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide

N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide (PubChem CID 43364213) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide
PubChem CID43364213
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide
SMILESCCc1ccccc1OCCC(=O)Nc1ccccc1N
InChIInChI=1S/C17H20N2O2/c1-2-13-7-3-6-10-16(13)21-12-11-17(20)19-15-9-5-4-8-14(15)18/h3-10H,2,11-12,18H2,1H3,(H,19,20)
InChIKeyRUNKAHVAPPNYHC-UHFFFAOYSA-N
XLogP3.24
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.24
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-(2-aminophenyl)-3-phenoxypropanamide
CID 16790214
N-(2-aminophenyl)-3-(2,5-difluorophenoxy)propanamide
CID 63268657
3-(2-aminophenyl)-N-(2-butoxyphenyl)propanamide;hydrochloride
CID 120608637
N-(2-aminophenyl)-3-(4-bromo-2-methylphenoxy)propanamide
CID 63213428
N-(2-aminophenyl)-3-(2-methylbutan-2-yloxy)propanamide
CID 28995566
3-amino-N-(2-propoxyphenyl)propanamide;hydrochloride
CID 119268305
N-(2-aminophenyl)-3-propan-2-yloxypropanamide;hydrochloride
CID 119422035
4-(2-aminophenoxy)-N-(2-ethoxyphenyl)butanamide
CID 84553851
4-(2-ethylphenoxy)butanamide
CID 82040636
N-[2-(ethylaminomethyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 119439282
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
N-(2-aminophenyl)-4-methoxybutanamide;hydrochloride
CID 119422032

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide?
The IUPAC name of N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide (CID 43364213) is N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide.
What is the SMILES notation for N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide?
The canonical SMILES for N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide is CCc1ccccc1OCCC(=O)Nc1ccccc1N.
What is the InChIKey of N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide?
The InChIKey is RUNKAHVAPPNYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-13-7-3-6-10-16(13)21-12-11-17(20)19-15-9-5-4-8-14(15)18/h3-10H,2,11-12,18H2,1H3,(H,19,20).
What are the key properties of N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide?
N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide has a molecular weight of 284.36 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-(2-ethylphenoxy)propanamide is sourced from PubChem (CID 43364213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).