N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide

C19H24N2O2 — CID 119439866

IUPACN-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide
SMILESCCNCc1ccccc1NC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C19H24N2O2/c1-4-20-13-16-7-5-6-8-18(16)21-19(22)15(3)23-17-11-9-14(2)10-12-17/h5-12,15,20H,4,13H2,1-3H3,(H,21,22)
InChIKeyIBQKZDMYEUBAIV-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide

N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide (PubChem CID 119439866) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide
PubChem CID119439866
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide
SMILESCCNCc1ccccc1NC(=O)C(C)Oc1ccc(C)cc1
InChIInChI=1S/C19H24N2O2/c1-4-20-13-16-7-5-6-8-18(16)21-19(22)15(3)23-17-11-9-14(2)10-12-17/h5-12,15,20H,4,13H2,1-3H3,(H,21,22)
InChIKeyIBQKZDMYEUBAIV-UHFFFAOYSA-N
XLogP3.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 60653440
(2R)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019889
N-(2-ethylphenyl)-2-(4-phenylphenoxy)propanamide
CID 19191511
N-(2-chlorophenyl)-2-(4-methylphenoxy)propanamide
CID 2983629
N-(2-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17087052
2-(4-methylphenoxy)-N-[2-methyl-3-(propanoylamino)phenyl]propanamide
CID 46760564
2-[[(2S)-2-(4-methylphenoxy)propanoyl]amino]benzamide
CID 7371907
2-(2,3-dichlorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide;hydrochloride
CID 119440809
2-(4-methylphenoxy)-N-(2-prop-2-enylsulfanylphenyl)propanamide
CID 18196102
2-(2-bromo-4-fluorophenoxy)-N-[2-(ethylaminomethyl)phenyl]propanamide
CID 119439670
2-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]propanamide
CID 46807295
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-(4-methylphenoxy)propanoate
CID 16567139

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide (CID 119439866) is N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide is CCNCc1ccccc1NC(=O)C(C)Oc1ccc(C)cc1.
What is the InChIKey of N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide?
The InChIKey is IBQKZDMYEUBAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-4-20-13-16-7-5-6-8-18(16)21-19(22)15(3)23-17-11-9-14(2)10-12-17/h5-12,15,20H,4,13H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide?
N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide has a molecular weight of 312.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylaminomethyl)phenyl]-2-(4-methylphenoxy)propanamide is sourced from PubChem (CID 119439866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).