N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride

C14H23ClN2O3 — CID 119505213

IUPACN-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
SMILESCCNCCNC(=O)CCOc1ccc(OC)cc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-3-15-9-10-16-14(17)8-11-19-13-6-4-12(18-2)5-7-13;/h4-7,15H,3,8-11H2,1-2H3,(H,16,17);1H
InChIKeyCVXZGHOBNIEFGQ-UHFFFAOYSA-N
MW302.80 g/mol
LogP1.61
Rot. Bonds9

About N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride

N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride (PubChem CID 119505213) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
PubChem CID119505213
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC NameN-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
SMILESCCNCCNC(=O)CCOc1ccc(OC)cc1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-3-15-9-10-16-14(17)8-11-19-13-6-4-12(18-2)5-7-13;/h4-7,15H,3,8-11H2,1-2H3,(H,16,17);1H
InChIKeyCVXZGHOBNIEFGQ-UHFFFAOYSA-N
XLogP1.61
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 51.61
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-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
CID 119504704
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119506776
3-(3,5-dimethylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119507967
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
3-phenoxy-N-[2-(propylamino)ethyl]propanamide
CID 62658597
N-[2-(ethylamino)ethyl]-3-methoxypropanamide
CID 62658774
N-[2-(ethylamino)ethyl]-3-(2-fluorophenoxy)propanamide;hydrochloride
CID 119505851
N-benzyl-3-(4-methoxyphenoxy)propanamide
CID 974838
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-methylpropylamino)propanamide
CID 109012798
N-[3-(ethylaminomethyl)phenyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119438032

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride (CID 119505213) is N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride is CCNCCNC(=O)CCOc1ccc(OC)cc1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride?
The InChIKey is CVXZGHOBNIEFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-3-15-9-10-16-14(17)8-11-19-13-6-4-12(18-2)5-7-13;/h4-7,15H,3,8-11H2,1-2H3,(H,16,17);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-3-(4-methoxyphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119505213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).