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

C14H22N2O2 — CID 119504615

IUPACN-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCCNCCNC(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-15-8-9-16-14(17)12(3)18-13-7-5-6-11(2)10-13/h5-7,10,12,15H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyWRUVJZGMJWPPDW-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.49
Rot. Bonds7

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

N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide (PubChem CID 119504615) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
PubChem CID119504615
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
SMILESCCNCCNC(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C14H22N2O2/c1-4-15-8-9-16-14(17)12(3)18-13-7-5-6-11(2)10-13/h5-7,10,12,15H,4,8-9H2,1-3H3,(H,16,17)
InChIKeyWRUVJZGMJWPPDW-UHFFFAOYSA-N
XLogP1.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506597
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
2-chloro-N-[2-[2-(3-methylphenoxy)propanoylamino]ethyl]benzamide
CID 55659323
N-(2-amino-2-methylpropyl)-2-(3-methylphenoxy)propanamide
CID 119625770
N-[2-(ethylamino)ethyl]-2-(4-phenylphenoxy)propanamide
CID 119509338
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119505468
2-(3-methylphenoxy)-N-[2-(2-methylprop-2-enoxy)ethyl]propanamide
CID 115700160
2-(3-methylphenoxy)propanehydrazide
CID 3021693
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
N-[2-(4-aminophenyl)ethyl]-2-(3-methylphenoxy)propanamide;hydrochloride
CID 119547439

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide (CID 119504615) is N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide is CCNCCNC(=O)C(C)Oc1cccc(C)c1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is WRUVJZGMJWPPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-15-8-9-16-14(17)12(3)18-13-7-5-6-11(2)10-13/h5-7,10,12,15H,4,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide?
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 250.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 119504615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).