4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide

C24H38N2O4 — CID 170007842

IUPAC4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
SMILESCCC(C)C#Cc1ccc(C(=O)NCCOCCOCCOCCNC(C)C)cc1
InChIInChI=1S/C24H38N2O4/c1-5-21(4)6-7-22-8-10-23(11-9-22)24(27)26-13-15-29-17-19-30-18-16-28-14-12-25-20(2)3/h8-11,20-21,25H,5,12-19H2,1-4H3,(H,26,27)
InChIKeyGEDUOHVFZLXEKN-UHFFFAOYSA-N
MW418.58 g/mol
LogP2.86
Rot. Bonds15

About 4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide

4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide (PubChem CID 170007842) has the molecular formula C24H38N2O4 and a molecular weight of 418.58 g/mol. Its IUPAC name is 4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide.

Molecular Properties

Compound Name4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
PubChem CID170007842
Molecular FormulaC24H38N2O4
Molecular Weight418.58 g/mol
Exact Mass418.28
IUPAC Name4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide
SMILESCCC(C)C#Cc1ccc(C(=O)NCCOCCOCCOCCNC(C)C)cc1
InChIInChI=1S/C24H38N2O4/c1-5-21(4)6-7-22-8-10-23(11-9-22)24(27)26-13-15-29-17-19-30-18-16-28-14-12-25-20(2)3/h8-11,20-21,25H,5,12-19H2,1-4H3,(H,26,27)
InChIKeyGEDUOHVFZLXEKN-UHFFFAOYSA-N
XLogP2.86
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 52.86
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
N-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethyl]-4-(3-methylbut-1-ynyl)benzamide
CID 142616395
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-bromo-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657874
4-(butan-2-ylsulfamoyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 55685376
methyl 4-(4-methoxy-3-methylbut-1-ynyl)benzoate
CID 171072326
4-(2-methylpropyl)-N-[2-[2-(3-oxobutoxy)ethoxy]ethyl]benzamide
CID 172602747
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-propan-2-ylbenzamide
CID 110425052
2-methyl-N-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727258
2-methyl-N-[2-[2-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]propanamide
CID 138727326
1-[2-ethoxyethoxy(sulfosulfanyl)methyl]-4-[2-(propan-2-ylamino)ethylcarbamoyl]benzene
CID 170184276

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The IUPAC name of 4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide (CID 170007842) is 4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide.
What is the SMILES notation for 4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The canonical SMILES for 4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide is CCC(C)C#Cc1ccc(C(=O)NCCOCCOCCOCCNC(C)C)cc1.
What is the InChIKey of 4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
The InChIKey is GEDUOHVFZLXEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N2O4/c1-5-21(4)6-7-22-8-10-23(11-9-22)24(27)26-13-15-29-17-19-30-18-16-28-14-12-25-20(2)3/h8-11,20-21,25H,5,12-19H2,1-4H3,(H,26,27).
What are the key properties of 4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide?
4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide has a molecular weight of 418.58 g/mol, XLogP of 2.86, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpent-1-ynyl)-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]benzamide is sourced from PubChem (CID 170007842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).