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

C18H31ClN2O2 — CID 141361840

IUPACN-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride
SMILESCCCCOc1cccc(CCNCCN(CC)C(C)=O)c1.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-4-6-14-22-18-9-7-8-17(15-18)10-11-19-12-13-20(5-2)16(3)21;/h7-9,15,19H,4-6,10-14H2,1-3H3;1H
InChIKeyFSDIYIQYEREHOQ-UHFFFAOYSA-N
MW342.91 g/mol
LogP3.29
Rot. Bonds11

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

N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride (PubChem CID 141361840) has the molecular formula C18H31ClN2O2 and a molecular weight of 342.91 g/mol. Its IUPAC name is N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride
PubChem CID141361840
Molecular FormulaC18H31ClN2O2
Molecular Weight342.91 g/mol
Exact Mass342.21
IUPAC NameN-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride
SMILESCCCCOc1cccc(CCNCCN(CC)C(C)=O)c1.Cl
InChIInChI=1S/C18H30N2O2.ClH/c1-4-6-14-22-18-9-7-8-17(15-18)10-11-19-12-13-20(5-2)16(3)21;/h7-9,15,19H,4-6,10-14H2,1-3H3;1H
InChIKeyFSDIYIQYEREHOQ-UHFFFAOYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride
CID 141361844
3-[2-(3-hexoxyphenyl)ethylamino]propanoic acid
CID 23121635
3-[2-(3-decoxyphenyl)ethylamino]propanoic acid
CID 23121759
2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide
CID 25165875
3-[2-(3-pentoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121382
3-[2-(3-nonoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 66853279
N-ethyl-N-[3-[3-(3-piperidin-1-ylpropoxy)phenyl]propyl]acetamide
CID 142864877
(2,2,2-trifluoroacetyl) 3-[2-(3-nonoxyphenyl)ethylamino]propanoate
CID 87180101
4-[2-(3-butoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 22682317
2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide
CID 25166469
N-[2-(3,5-dibutoxyphenyl)ethyl]-2-phenylethanamine
CID 121299623
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride?
The IUPAC name of N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride (CID 141361840) is N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride.
What is the SMILES notation for N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride?
The canonical SMILES for N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride is CCCCOc1cccc(CCNCCN(CC)C(C)=O)c1.Cl.
What is the InChIKey of N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride?
The InChIKey is FSDIYIQYEREHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2.ClH/c1-4-6-14-22-18-9-7-8-17(15-18)10-11-19-12-13-20(5-2)16(3)21;/h7-9,15,19H,4-6,10-14H2,1-3H3;1H.
What are the key properties of N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride?
N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 3.29, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride is sourced from PubChem (CID 141361840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).