N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide

C23H46N2O4 — CID 91516384

IUPACN-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide
SMILESCCCCC(=O)NC(C)COC(C)(C)COC(C)(C)CC(C)NC(=O)CCCC
InChIInChI=1S/C23H46N2O4/c1-9-11-13-20(26)24-18(3)15-22(5,6)29-17-23(7,8)28-16-19(4)25-21(27)14-12-10-2/h18-19H,9-17H2,1-8H3,(H,24,26)(H,25,27)
InChIKeyJZGMCJGLVZWERU-UHFFFAOYSA-N
MW414.63 g/mol
LogP4.36
Rot. Bonds16

About N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide

N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide (PubChem CID 91516384) has the molecular formula C23H46N2O4 and a molecular weight of 414.63 g/mol. Its IUPAC name is N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide.

Molecular Properties

Compound NameN-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide
PubChem CID91516384
Molecular FormulaC23H46N2O4
Molecular Weight414.63 g/mol
Exact Mass414.35
IUPAC NameN-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide
SMILESCCCCC(=O)NC(C)COC(C)(C)COC(C)(C)CC(C)NC(=O)CCCC
InChIInChI=1S/C23H46N2O4/c1-9-11-13-20(26)24-18(3)15-22(5,6)29-17-23(7,8)28-16-19(4)25-21(27)14-12-10-2/h18-19H,9-17H2,1-8H3,(H,24,26)(H,25,27)
InChIKeyJZGMCJGLVZWERU-UHFFFAOYSA-N
XLogP4.36
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.63
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide?
The IUPAC name of N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide (CID 91516384) is N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide.
What is the SMILES notation for N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide?
The canonical SMILES for N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide is CCCCC(=O)NC(C)COC(C)(C)COC(C)(C)CC(C)NC(=O)CCCC.
What is the InChIKey of N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide?
The InChIKey is JZGMCJGLVZWERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O4/c1-9-11-13-20(26)24-18(3)15-22(5,6)29-17-23(7,8)28-16-19(4)25-21(27)14-12-10-2/h18-19H,9-17H2,1-8H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide?
N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide has a molecular weight of 414.63 g/mol, XLogP of 4.36, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-4-[2-methyl-2-[2-(pentanoylamino)propoxy]propoxy]pentan-2-yl]pentanamide is sourced from PubChem (CID 91516384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).