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

C14H22N2O3 — CID 63755365

IUPACN-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCCOCCN)c1
InChIInChI=1S/C14H22N2O3/c1-12-3-2-4-13(11-12)19-8-5-14(17)16-7-10-18-9-6-15/h2-4,11H,5-10,15H2,1H3,(H,16,17)
InChIKeyNGQNNWWVHKKTSO-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.86
Rot. Bonds9

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

N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide (PubChem CID 63755365) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
PubChem CID63755365
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC NameN-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)NCCOCCN)c1
InChIInChI=1S/C14H22N2O3/c1-12-3-2-4-13(11-12)19-8-5-14(17)16-7-10-18-9-6-15/h2-4,11H,5-10,15H2,1H3,(H,16,17)
InChIKeyNGQNNWWVHKKTSO-UHFFFAOYSA-N
XLogP0.86
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-hydroxyethoxy)ethyl]-3-(3-methylphenoxy)propanamide
CID 55023975
2-[2-[3-(3-methylphenoxy)propanoylamino]ethoxy]acetic acid
CID 79457981
N-[2-(methylamino)ethyl]-3-(3-methylphenoxy)propanamide
CID 62659653
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-(3-methylphenoxy)propanamide
CID 114758920
N-[2-(3-methylphenoxy)ethyl]-2-(3-methylphenyl)acetamide
CID 113099136
3-(2-aminophenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 120608235
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-(3-methylphenoxy)propanamide
CID 115365510
N-(2-methoxyethoxy)-3-(3-methylphenoxy)propanamide
CID 79676153
N-(6-hydroxyhexyl)-4-(3-methylphenoxy)butanamide
CID 103919173
N-[(2S)-1-aminopropan-2-yl]-3-(3-methylphenoxy)propanamide;hydrochloride
CID 120508578

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide (CID 63755365) is N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)NCCOCCN)c1.
What is the InChIKey of N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide?
The InChIKey is NGQNNWWVHKKTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-12-3-2-4-13(11-12)19-8-5-14(17)16-7-10-18-9-6-15/h2-4,11H,5-10,15H2,1H3,(H,16,17).
What are the key properties of N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide?
N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-aminoethoxy)ethyl]-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 63755365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).