N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide

C22H34N4O4 — CID 163401701

IUPACN-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide
SMILESCNCCOCCOCCOCCNC(=O)c1ccc(C(C)n2cc(C)cn2)cc1
InChIInChI=1S/C22H34N4O4/c1-18-16-25-26(17-18)19(2)20-4-6-21(7-5-20)22(27)24-9-11-29-13-15-30-14-12-28-10-8-23-3/h4-7,16-17,19,23H,8-15H2,1-3H3,(H,24,27)
InChIKeyROYFUGPPDGYTHH-UHFFFAOYSA-N
MW418.54 g/mol
LogP1.80
Rot. Bonds15

About N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide

N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide (PubChem CID 163401701) has the molecular formula C22H34N4O4 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide
PubChem CID163401701
Molecular FormulaC22H34N4O4
Molecular Weight418.54 g/mol
Exact Mass418.26
IUPAC NameN-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide
SMILESCNCCOCCOCCOCCNC(=O)c1ccc(C(C)n2cc(C)cn2)cc1
InChIInChI=1S/C22H34N4O4/c1-18-16-25-26(17-18)19(2)20-4-6-21(7-5-20)22(27)24-9-11-29-13-15-30-14-12-28-10-8-23-3/h4-7,16-17,19,23H,8-15H2,1-3H3,(H,24,27)
InChIKeyROYFUGPPDGYTHH-UHFFFAOYSA-N
XLogP1.80
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(4-ethylpyrazol-1-yl)ethyl]-N-[2-[2-[2-[2-[2-[2-[2-(methylamino)-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]benzamide
CID 155739810
N-[2-[2-[2-[2-(4,4-dimethylpentoxy)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-propan-2-ylpyrazol-1-yl)ethyl]benzamide
CID 167386732
N-[2-[2-(methylamino)ethoxy]ethyl]benzamide
CID 166579726
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide
CID 142616395
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
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-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
CID 110425052
4-methyl-N-[2-(methylamino)ethyl]benzamide
CID 59535801
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzamide
CID 161343746
N-(2-aminooxyethyl)-4-methylbenzamide
CID 39239063

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide?
The IUPAC name of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide (CID 163401701) is N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide?
The canonical SMILES for N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide is CNCCOCCOCCOCCNC(=O)c1ccc(C(C)n2cc(C)cn2)cc1.
What is the InChIKey of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide?
The InChIKey is ROYFUGPPDGYTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O4/c1-18-16-25-26(17-18)19(2)20-4-6-21(7-5-20)22(27)24-9-11-29-13-15-30-14-12-28-10-8-23-3/h4-7,16-17,19,23H,8-15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide?
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide has a molecular weight of 418.54 g/mol, XLogP of 1.80, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-[1-(4-methylpyrazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 163401701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).