N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide

C30H60N2O4 — CID 618089

IUPACN-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide
SMILESCCCCCCCCCCCCNC(=O)COCCOCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C30H60N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-31-29(33)27-35-25-26-36-28-30(34)32-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyBNCMTDGQRDWKOV-UHFFFAOYSA-N
MW512.82 g/mol
LogP7.09
Rot. Bonds29

About N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide

N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide (PubChem CID 618089) has the molecular formula C30H60N2O4 and a molecular weight of 512.82 g/mol. Its IUPAC name is N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide
PubChem CID618089
Molecular FormulaC30H60N2O4
Molecular Weight512.82 g/mol
Exact Mass512.46
IUPAC NameN-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide
SMILESCCCCCCCCCCCCNC(=O)COCCOCC(=O)NCCCCCCCCCCCC
InChIInChI=1S/C30H60N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-31-29(33)27-35-25-26-36-28-30(34)32-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H,31,33)(H,32,34)
InChIKeyBNCMTDGQRDWKOV-UHFFFAOYSA-N
XLogP7.09
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds29
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.82
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide?
The IUPAC name of N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide (CID 618089) is N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide.
What is the SMILES notation for N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide?
The canonical SMILES for N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide is CCCCCCCCCCCCNC(=O)COCCOCC(=O)NCCCCCCCCCCCC.
What is the InChIKey of N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide?
The InChIKey is BNCMTDGQRDWKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H60N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-31-29(33)27-35-25-26-36-28-30(34)32-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H,31,33)(H,32,34).
What are the key properties of N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide?
N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide has a molecular weight of 512.82 g/mol, XLogP of 7.09, 29 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-[2-[2-(dodecylamino)-2-oxoethoxy]ethoxy]acetamide is sourced from PubChem (CID 618089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).