N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide

C20H36N2O4 — CID 166497218

IUPACN'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide
SMILESCC(C)(C)C#CCNC(=O)CCCC(=O)NCCOCCOC(C)(C)C
InChIInChI=1S/C20H36N2O4/c1-19(2,3)11-8-12-21-17(23)9-7-10-18(24)22-13-14-25-15-16-26-20(4,5)6/h7,9-10,12-16H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyWSIMSLRHNGIGTJ-UHFFFAOYSA-N
MW368.52 g/mol
LogP2.27
Rot. Bonds11

About N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide

N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide (PubChem CID 166497218) has the molecular formula C20H36N2O4 and a molecular weight of 368.52 g/mol. Its IUPAC name is N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide.

Molecular Properties

Compound NameN'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide
PubChem CID166497218
Molecular FormulaC20H36N2O4
Molecular Weight368.52 g/mol
Exact Mass368.27
IUPAC NameN'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide
SMILESCC(C)(C)C#CCNC(=O)CCCC(=O)NCCOCCOC(C)(C)C
InChIInChI=1S/C20H36N2O4/c1-19(2,3)11-8-12-21-17(23)9-7-10-18(24)22-13-14-25-15-16-26-20(4,5)6/h7,9-10,12-16H2,1-6H3,(H,21,23)(H,22,24)
InChIKeyWSIMSLRHNGIGTJ-UHFFFAOYSA-N
XLogP2.27
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide?
The IUPAC name of N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide (CID 166497218) is N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide.
What is the SMILES notation for N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide?
The canonical SMILES for N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide is CC(C)(C)C#CCNC(=O)CCCC(=O)NCCOCCOC(C)(C)C.
What is the InChIKey of N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide?
The InChIKey is WSIMSLRHNGIGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O4/c1-19(2,3)11-8-12-21-17(23)9-7-10-18(24)22-13-14-25-15-16-26-20(4,5)6/h7,9-10,12-16H2,1-6H3,(H,21,23)(H,22,24).
What are the key properties of N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide?
N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide has a molecular weight of 368.52 g/mol, XLogP of 2.27, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,4-dimethylpent-2-ynyl)-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]pentanediamide is sourced from PubChem (CID 166497218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).