2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride

C21H37ClN2O2 — CID 3026080

IUPAC2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride
SMILESCCCCCCCCOc1ccc(CNC(=O)CN(CC)CC)cc1.Cl
InChIInChI=1S/C21H36N2O2.ClH/c1-4-7-8-9-10-11-16-25-20-14-12-19(13-15-20)17-22-21(24)18-23(5-2)6-3;/h12-15H,4-11,16-18H2,1-3H3,(H,22,24);1H
InChIKeyZVTVQAOKIPMDJG-UHFFFAOYSA-N
MW384.99 g/mol
LogP4.81
Rot. Bonds14

About 2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride

2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride (PubChem CID 3026080) has the molecular formula C21H37ClN2O2 and a molecular weight of 384.99 g/mol. Its IUPAC name is 2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride
PubChem CID3026080
Molecular FormulaC21H37ClN2O2
Molecular Weight384.99 g/mol
Exact Mass384.25
IUPAC Name2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride
SMILESCCCCCCCCOc1ccc(CNC(=O)CN(CC)CC)cc1.Cl
InChIInChI=1S/C21H36N2O2.ClH/c1-4-7-8-9-10-11-16-25-20-14-12-19(13-15-20)17-22-21(24)18-23(5-2)6-3;/h12-15H,4-11,16-18H2,1-3H3,(H,22,24);1H
InChIKeyZVTVQAOKIPMDJG-UHFFFAOYSA-N
XLogP4.81
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.99
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-hydroxyphenyl)methyl]-2-(4-pentoxyphenyl)acetamide
CID 139995806
4-oxo-4-[(4-pentoxyphenyl)methylamino]butanoic acid
CID 9151485
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 18113059
N-benzyl-2-(diethylamino)acetamide
CID 969777
N-[(4-octoxyphenyl)methyl]hydroxylamine
CID 22368623
2-(4-aminophenyl)-N-[[4-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide;dihydrochloride
CID 119848317
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(4-methoxyphenoxy)propanamide
CID 27332548
1,3-bis[(4-butoxyphenyl)methyl]thiourea
CID 3095518
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
2-(hydroxymethyl)-2-[(4-tetradecoxyphenyl)methylamino]propane-1,3-diol;hydrochloride
CID 71612675
N-[(4-butoxyphenyl)methyl]-4-hexoxyaniline
CID 54798833
N-[(4-hexoxyphenyl)methyl]hexan-1-amine
CID 54807832

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride?
The IUPAC name of 2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride (CID 3026080) is 2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride?
The canonical SMILES for 2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride is CCCCCCCCOc1ccc(CNC(=O)CN(CC)CC)cc1.Cl.
What is the InChIKey of 2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride?
The InChIKey is ZVTVQAOKIPMDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O2.ClH/c1-4-7-8-9-10-11-16-25-20-14-12-19(13-15-20)17-22-21(24)18-23(5-2)6-3;/h12-15H,4-11,16-18H2,1-3H3,(H,22,24);1H.
What are the key properties of 2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride?
2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride has a molecular weight of 384.99 g/mol, XLogP of 4.81, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[(4-octoxyphenyl)methyl]acetamide;hydrochloride is sourced from PubChem (CID 3026080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).