N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide

C18H22N2O2 — CID 24690713

IUPACN-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide
SMILESCCc1cccc(OC(C)C(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C18H22N2O2/c1-4-14-6-5-7-16(10-14)22-13(3)18(21)20-17-11-15(19)9-8-12(17)2/h5-11,13H,4,19H2,1-3H3,(H,20,21)
InChIKeyRCYFMSJYVVLQFT-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.55
Rot. Bonds5

About N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide

N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide (PubChem CID 24690713) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide
PubChem CID24690713
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide
SMILESCCc1cccc(OC(C)C(=O)Nc2cc(N)ccc2C)c1
InChIInChI=1S/C18H22N2O2/c1-4-14-6-5-7-16(10-14)22-13(3)18(21)20-17-11-15(19)9-8-12(17)2/h5-11,13H,4,19H2,1-3H3,(H,20,21)
InChIKeyRCYFMSJYVVLQFT-UHFFFAOYSA-N
XLogP3.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.55
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-(2,3-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266821
N-(2,6-dimethylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53266830
N-(2,4-dichlorophenyl)-2-(3-ethylphenoxy)propanamide
CID 53267195
N-(3-chloro-4-methylphenyl)-2-(3-ethylphenoxy)propanamide
CID 53267219
2-[3-(hydroxymethyl)phenoxy]-N-(2-methylphenyl)propanamide
CID 109388663
2-(3-aminophenoxy)-N-(2-ethyl-6-methylphenyl)propanamide
CID 82027609
ethyl 3-[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 8890418
2-(3-ethylphenoxy)-N-(4-methylsulfanylphenyl)propanamide
CID 53267152
(2S)-N-(4-ethoxyphenyl)-2-(3-ethylphenoxy)propanamide
CID 25465522
N-(3,4-dimethylphenyl)-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388671
methyl 3-[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl]oxybenzoate
CID 26548597
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide (CID 24690713) is N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide is CCc1cccc(OC(C)C(=O)Nc2cc(N)ccc2C)c1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide?
The InChIKey is RCYFMSJYVVLQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-4-14-6-5-7-16(10-14)22-13(3)18(21)20-17-11-15(19)9-8-12(17)2/h5-11,13H,4,19H2,1-3H3,(H,20,21).
What are the key properties of N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide?
N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide has a molecular weight of 298.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-2-(3-ethylphenoxy)propanamide is sourced from PubChem (CID 24690713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).