4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride

C15H25ClN2O3 — CID 119289103

IUPAC4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)CCCN)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-2-19-9-10-20-12-13-5-3-6-14(11-13)17-15(18)7-4-8-16;/h3,5-6,11H,2,4,7-10,12,16H2,1H3,(H,17,18);1H
InChIKeyHXEXDRBJRZLCAJ-UHFFFAOYSA-N
MW316.83 g/mol
LogP2.34
Rot. Bonds10

About 4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride

4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride (PubChem CID 119289103) has the molecular formula C15H25ClN2O3 and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
PubChem CID119289103
Molecular FormulaC15H25ClN2O3
Molecular Weight316.83 g/mol
Exact Mass316.16
IUPAC Name4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride
SMILESCCOCCOCc1cccc(NC(=O)CCCN)c1.Cl
InChIInChI=1S/C15H24N2O3.ClH/c1-2-19-9-10-20-12-13-5-3-6-14(11-13)17-15(18)7-4-8-16;/h3,5-6,11H,2,4,7-10,12,16H2,1H3,(H,17,18);1H
InChIKeyHXEXDRBJRZLCAJ-UHFFFAOYSA-N
XLogP2.34
TPSA73.58 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 ≤ 52.34
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

4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
CID 43707512
N-[3-(aminomethyl)phenyl]-4-(2-propoxyethoxy)butanamide
CID 63684342
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525
ethyl 3-(4-aminobutanoylamino)benzoate;hydrochloride
CID 119272979
3-amino-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 119306277
4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119312069
4-ethoxy-N-[3-(propylaminomethyl)phenyl]butanamide
CID 106910729
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
2-(2-aminoethyl)-N-[3-(2-ethoxyethoxymethyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120622317

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride (CID 119289103) is 4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride is CCOCCOCc1cccc(NC(=O)CCCN)c1.Cl.
What is the InChIKey of 4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride?
The InChIKey is HXEXDRBJRZLCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3.ClH/c1-2-19-9-10-20-12-13-5-3-6-14(11-13)17-15(18)7-4-8-16;/h3,5-6,11H,2,4,7-10,12,16H2,1H3,(H,17,18);1H.
What are the key properties of 4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride?
4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride has a molecular weight of 316.83 g/mol, XLogP of 2.34, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119289103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).