N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide

C21H32N2O4 — CID 142616395

IUPACN-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide
SMILESCNCCOCCOCCOCCNC(=O)c1ccc(C#CC(C)C)cc1
InChIInChI=1S/C21H32N2O4/c1-18(2)4-5-19-6-8-20(9-7-19)21(24)23-11-13-26-15-17-27-16-14-25-12-10-22-3/h6-9,18,22H,10-17H2,1-3H3,(H,23,24)
InChIKeyXUQFEVAXKCIBKF-UHFFFAOYSA-N
MW376.50 g/mol
LogP1.69
Rot. Bonds13

About N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide

N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide (PubChem CID 142616395) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide
PubChem CID142616395
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC NameN-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide
SMILESCNCCOCCOCCOCCNC(=O)c1ccc(C#CC(C)C)cc1
InChIInChI=1S/C21H32N2O4/c1-18(2)4-5-19-6-8-20(9-7-19)21(24)23-11-13-26-15-17-27-16-14-25-12-10-22-3/h6-9,18,22H,10-17H2,1-3H3,(H,23,24)
InChIKeyXUQFEVAXKCIBKF-UHFFFAOYSA-N
XLogP1.69
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(methylamino)prop-1-ynyl]-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 169214944
4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 170007842
N-[2-[2-(methylamino)ethoxy]ethyl]benzamide
CID 166579726
4-pent-1-ynyl-N-[2-[2-[2-[2-(propylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 155740710
1-N-[2-(2-methoxyethoxy)ethyl]-4-N-(2-methylpropyl)benzene-1,4-dicarboxamide;molecular hydrogen
CID 166130832
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 55046818
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxybenzamide
CID 82354283
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide
CID 163401701
4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
CID 172602747
4-(2-azido-2-methylpropyl)-N-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl]benzamide
CID 167268229
4-butoxy-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 60654687
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
CID 110425052

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide?
The IUPAC name of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide (CID 142616395) is N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide.
What is the SMILES notation for N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide?
The canonical SMILES for N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide is CNCCOCCOCCOCCNC(=O)c1ccc(C#CC(C)C)cc1.
What is the InChIKey of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide?
The InChIKey is XUQFEVAXKCIBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-18(2)4-5-19-6-8-20(9-7-19)21(24)23-11-13-26-15-17-27-16-14-25-12-10-22-3/h6-9,18,22H,10-17H2,1-3H3,(H,23,24).
What are the key properties of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide?
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide has a molecular weight of 376.50 g/mol, XLogP of 1.69, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide is sourced from PubChem (CID 142616395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).