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

C15H25ClN2O3 — CID 119504704

IUPACN-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
SMILESCCNCCNC(=O)CCCOc1ccc(OC)cc1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-3-16-10-11-17-15(18)5-4-12-20-14-8-6-13(19-2)7-9-14;/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18);1H
InChIKeyWMKSEFASSCIYEP-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.00
Rot. Bonds10

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

N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride (PubChem CID 119504704) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
PubChem CID119504704
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC NameN-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride
SMILESCCNCCNC(=O)CCCOc1ccc(OC)cc1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-3-16-10-11-17-15(18)5-4-12-20-14-8-6-13(19-2)7-9-14;/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18);1H
InChIKeyWMKSEFASSCIYEP-UHFFFAOYSA-N
XLogP2.00
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 52.00
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]-3-(4-methoxyphenoxy)propanamide;hydrochloride
CID 119505213
N-ethyl-4-(4-methoxyphenoxy)butanamide
CID 21173657
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119506776
N-[2-(ethylamino)ethyl]-3-phenoxypropanamide;hydrochloride
CID 119506555
N-[3-(4-methoxyphenoxy)propyl]-4-(methylamino)butanamide;hydrochloride
CID 119747931
4-(4-ethoxyphenoxy)-N-[2-(methylamino)ethyl]butanamide
CID 119500483
N-(2-amino-2-methylpropyl)-4-(4-methoxyphenoxy)butanamide
CID 119625857
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
4-(4-methoxyphenoxy)-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394128
N-(2-aminopropyl)-4-(4-methoxyphenoxy)butanamide
CID 82354195
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methoxyphenoxy)butanamide
CID 55951561
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 26120273

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride?
The IUPAC name of N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride (CID 119504704) is N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride?
The canonical SMILES for N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride is CCNCCNC(=O)CCCOc1ccc(OC)cc1.Cl.
What is the InChIKey of N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride?
The InChIKey is WMKSEFASSCIYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-3-16-10-11-17-15(18)5-4-12-20-14-8-6-13(19-2)7-9-14;/h6-9,16H,3-5,10-12H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride?
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.00, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-4-(4-methoxyphenoxy)butanamide;hydrochloride is sourced from PubChem (CID 119504704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).