N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide

C19H32N2O3 — CID 90338093

IUPACN-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide
SMILESCCCCCCOCCOCCNC(=O)c1ccc(CNC)cc1
InChIInChI=1S/C19H32N2O3/c1-3-4-5-6-12-23-14-15-24-13-11-21-19(22)18-9-7-17(8-10-18)16-20-2/h7-10,20H,3-6,11-16H2,1-2H3,(H,21,22)
InChIKeyQYCCAYLJMWBPBN-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.75
Rot. Bonds14

About N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide

N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide (PubChem CID 90338093) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide
PubChem CID90338093
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC NameN-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide
SMILESCCCCCCOCCOCCNC(=O)c1ccc(CNC)cc1
InChIInChI=1S/C19H32N2O3/c1-3-4-5-6-12-23-14-15-24-13-11-21-19(22)18-9-7-17(8-10-18)16-20-2/h7-10,20H,3-6,11-16H2,1-2H3,(H,21,22)
InChIKeyQYCCAYLJMWBPBN-UHFFFAOYSA-N
XLogP2.75
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.75
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-(2-hexoxyethoxy)ethyl]-4-(3-methylbutyl)benzamide
CID 157074659
N-[[4-[2-(2-hexoxyethoxy)ethylcarbamoyl]phenyl]methyl]-5-(hydrazinecarbonyl)thiophene-2-carboxamide
CID 67629900
4-[[[N-[2-(2-butoxyethoxy)ethyl]-N'-methylcarbamimidoyl]amino]methyl]-N-butylbenzamide;hydroiodide
CID 111693121
4-amino-N-(2-butoxyethyl)benzamide
CID 61171616
N-(2-butoxyethyl)-4-hydrazinylbenzamide
CID 62243133
4-(ethylaminomethyl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]benzamide
CID 166949496
N-(2-hydroxyethyl)-4-(methylaminomethyl)benzamide
CID 70891086
4-[(2-methylhydrazinyl)methyl]-N-pentylbenzamide
CID 54400286
N-methyl-1-[4-(2-pentoxyethoxy)phenyl]methanamine
CID 62451901
N-[2-[2-[2-[[4-[(4-methoxyphenyl)methylamino]-6-(octylamino)-1,3,5-triazin-2-yl]amino]ethoxy]ethoxy]ethyl]benzamide
CID 23928989
N-hexyl-4-[(propan-2-ylamino)methyl]benzamide
CID 171639539
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide?
The IUPAC name of N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide (CID 90338093) is N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide.
What is the SMILES notation for N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide?
The canonical SMILES for N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide is CCCCCCOCCOCCNC(=O)c1ccc(CNC)cc1.
What is the InChIKey of N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide?
The InChIKey is QYCCAYLJMWBPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-3-4-5-6-12-23-14-15-24-13-11-21-19(22)18-9-7-17(8-10-18)16-20-2/h7-10,20H,3-6,11-16H2,1-2H3,(H,21,22).
What are the key properties of N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide?
N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide has a molecular weight of 336.48 g/mol, XLogP of 2.75, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hexoxyethoxy)ethyl]-4-(methylaminomethyl)benzamide is sourced from PubChem (CID 90338093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).