N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide

C24H49NO2 — CID 89343723

IUPACN-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)CC(CC)OCCC(C)CC
InChIInChI=1S/C24H49NO2/c1-6-9-10-11-12-13-14-15-16-17-24(26)25-22(5)20-23(8-3)27-19-18-21(4)7-2/h21-23H,6-20H2,1-5H3,(H,25,26)
InChIKeyXZVUZNHFQAXHES-UHFFFAOYSA-N
MW383.66 g/mol
LogP7.03
Rot. Bonds19

About N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide

N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide (PubChem CID 89343723) has the molecular formula C24H49NO2 and a molecular weight of 383.66 g/mol. Its IUPAC name is N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide.

Molecular Properties

Compound NameN-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide
PubChem CID89343723
Molecular FormulaC24H49NO2
Molecular Weight383.66 g/mol
Exact Mass383.38
IUPAC NameN-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide
SMILESCCCCCCCCCCCC(=O)NC(C)CC(CC)OCCC(C)CC
InChIInChI=1S/C24H49NO2/c1-6-9-10-11-12-13-14-15-16-17-24(26)25-22(5)20-23(8-3)27-19-18-21(4)7-2/h21-23H,6-20H2,1-5H3,(H,25,26)
InChIKeyXZVUZNHFQAXHES-UHFFFAOYSA-N
XLogP7.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.66
LogP ≤ 57.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide?
The IUPAC name of N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide (CID 89343723) is N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide.
What is the SMILES notation for N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide?
The canonical SMILES for N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide is CCCCCCCCCCCC(=O)NC(C)CC(CC)OCCC(C)CC.
What is the InChIKey of N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide?
The InChIKey is XZVUZNHFQAXHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H49NO2/c1-6-9-10-11-12-13-14-15-16-17-24(26)25-22(5)20-23(8-3)27-19-18-21(4)7-2/h21-23H,6-20H2,1-5H3,(H,25,26).
What are the key properties of N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide?
N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide has a molecular weight of 383.66 g/mol, XLogP of 7.03, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylpentoxy)hexan-2-yl]dodecanamide is sourced from PubChem (CID 89343723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).