N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride

C13H21ClN2O2 — CID 119506555

IUPACN-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
SMILESCCNCCNC(=O)CCOc1ccccc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-2-14-9-10-15-13(16)8-11-17-12-6-4-3-5-7-12;/h3-7,14H,2,8-11H2,1H3,(H,15,16);1H
InChIKeySCPNVKWLTXWNLD-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.60
Rot. Bonds8

About N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride (PubChem CID 119506555) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
PubChem CID119506555
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
SMILESCCNCCNC(=O)CCOc1ccccc1.Cl
InChIInChI=1S/C13H20N2O2.ClH/c1-2-14-9-10-15-13(16)8-11-17-12-6-4-3-5-7-12;/h3-7,14H,2,8-11H2,1H3,(H,15,16);1H
InChIKeySCPNVKWLTXWNLD-UHFFFAOYSA-N
XLogP1.60
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.60
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

3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119505213
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119505851
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704
3,3-dimethyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108573551
N-[2-[(2,2-dichloroacetyl)amino]ethyl]-3-phenoxypropanamide
CID 108573549
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
3-methyl-N-[2-(3-phenoxypropanoylamino)ethyl]butanamide
CID 108538519
2-(ethylamino)-N-(2-phenoxyethyl)acetamide
CID 60672813
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride (CID 119506555) is N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride is CCNCCNC(=O)CCOc1ccccc1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride?
The InChIKey is SCPNVKWLTXWNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2.ClH/c1-2-14-9-10-15-13(16)8-11-17-12-6-4-3-5-7-12;/h3-7,14H,2,8-11H2,1H3,(H,15,16);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride has a molecular weight of 272.78 g/mol, XLogP of 1.60, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride is sourced from PubChem (CID 119506555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).