N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide

C26H53NO5 — CID 135216818

IUPACN-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide
SMILESCC(C)OCCCCCOCC(=O)NC(C)(C)CC[C@@H](C)OCCCCCOC(C)(C)C
InChIInChI=1S/C26H53NO5/c1-22(2)30-18-12-9-11-17-29-21-24(28)27-26(7,8)16-15-23(3)31-19-13-10-14-20-32-25(4,5)6/h22-23H,9-21H2,1-8H3,(H,27,28)/t23-/m1/s1
InChIKeyZDZATWUKANOXTL-HSZRJFAPSA-N
MW459.71 g/mol
LogP5.66
Rot. Bonds20

About N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide

N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide (PubChem CID 135216818) has the molecular formula C26H53NO5 and a molecular weight of 459.71 g/mol. Its IUPAC name is N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide.

Molecular Properties

Compound NameN-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide
PubChem CID135216818
Molecular FormulaC26H53NO5
Molecular Weight459.71 g/mol
Exact Mass459.39
IUPAC NameN-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide
SMILESCC(C)OCCCCCOCC(=O)NC(C)(C)CC[C@@H](C)OCCCCCOC(C)(C)C
InChIInChI=1S/C26H53NO5/c1-22(2)30-18-12-9-11-17-29-21-24(28)27-26(7,8)16-15-23(3)31-19-13-10-14-20-32-25(4,5)6/h22-23H,9-21H2,1-8H3,(H,27,28)/t23-/m1/s1
InChIKeyZDZATWUKANOXTL-HSZRJFAPSA-N
XLogP5.66
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.71
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide?
The IUPAC name of N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide (CID 135216818) is N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide.
What is the SMILES notation for N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide?
The canonical SMILES for N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide is CC(C)OCCCCCOCC(=O)NC(C)(C)CC[C@@H](C)OCCCCCOC(C)(C)C.
What is the InChIKey of N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide?
The InChIKey is ZDZATWUKANOXTL-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H53NO5/c1-22(2)30-18-12-9-11-17-29-21-24(28)27-26(7,8)16-15-23(3)31-19-13-10-14-20-32-25(4,5)6/h22-23H,9-21H2,1-8H3,(H,27,28)/t23-/m1/s1.
What are the key properties of N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide?
N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide has a molecular weight of 459.71 g/mol, XLogP of 5.66, 20 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-2-methyl-5-[5-[(2-methylpropan-2-yl)oxy]pentoxy]hexan-2-yl]-2-(5-propan-2-yloxypentoxy)acetamide is sourced from PubChem (CID 135216818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).