N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride

C15H25ClN2O2 — CID 141361844

IUPACN-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride
SMILESCCCCOc1cccc(CCNCNC(C)=O)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-4-10-19-15-7-5-6-14(11-15)8-9-16-12-17-13(2)18;/h5-7,11,16H,3-4,8-10,12H2,1-2H3,(H,17,18);1H
InChIKeyILHMWTVULQEGBY-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.51
Rot. Bonds9

About N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride

N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride (PubChem CID 141361844) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride
PubChem CID141361844
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC NameN-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride
SMILESCCCCOc1cccc(CCNCNC(C)=O)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-3-4-10-19-15-7-5-6-14(11-15)8-9-16-12-17-13(2)18;/h5-7,11,16H,3-4,8-10,12H2,1-2H3,(H,17,18);1H
InChIKeyILHMWTVULQEGBY-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[2-[2-(3-butoxyphenyl)ethylamino]ethyl]-N-ethylacetamide;hydrochloride
CID 141361840
3-[2-(3-hexoxyphenyl)ethylamino]propanoic acid
CID 23121635
3-[2-(3-decoxyphenyl)ethylamino]propanoic acid
CID 23121759
4-[2-(3-butoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 22682317
2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide
CID 25165875
N-[2-[(3-propoxyphenyl)methylamino]ethyl]acetamide
CID 54893746
N-[(3-butoxyphenyl)methyl]ethanamine
CID 43278316
3-[2-(3-pentoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121382
N-[2-[2-(3-methoxyphenyl)ethylamino]ethyl]acetamide
CID 107852146
[2-oxo-2-[3-(3-propylphenoxy)propylamino]ethyl] acetate
CID 71072933
3-[2-(3-nonoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 66853279
1-(3-butoxyphenyl)butan-2-one
CID 82161239

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride?
The IUPAC name of N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride (CID 141361844) is N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride.
What is the SMILES notation for N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride?
The canonical SMILES for N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride is CCCCOc1cccc(CCNCNC(C)=O)c1.Cl.
What is the InChIKey of N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride?
The InChIKey is ILHMWTVULQEGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-3-4-10-19-15-7-5-6-14(11-15)8-9-16-12-17-13(2)18;/h5-7,11,16H,3-4,8-10,12H2,1-2H3,(H,17,18);1H.
What are the key properties of N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride?
N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-butoxyphenyl)ethylamino]methyl]acetamide;hydrochloride is sourced from PubChem (CID 141361844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).