N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide

C36H72N2O3 — CID 132533602

IUPACN,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)COCC(=O)N(CCCC)CCCC
InChIInChI=1S/C36H72N2O3/c1-5-9-13-15-17-19-21-23-25-27-31-38(32-28-26-24-22-20-18-16-14-10-6-2)36(40)34-41-33-35(39)37(29-11-7-3)30-12-8-4/h5-34H2,1-4H3
InChIKeyZPYWNJODRRTCRE-UHFFFAOYSA-N
MW580.98 g/mol
LogP10.10
Rot. Bonds32

About N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide

N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide (PubChem CID 132533602) has the molecular formula C36H72N2O3 and a molecular weight of 580.98 g/mol. Its IUPAC name is N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide
PubChem CID132533602
Molecular FormulaC36H72N2O3
Molecular Weight580.98 g/mol
Exact Mass580.55
IUPAC NameN,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide
SMILESCCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)COCC(=O)N(CCCC)CCCC
InChIInChI=1S/C36H72N2O3/c1-5-9-13-15-17-19-21-23-25-27-31-38(32-28-26-24-22-20-18-16-14-10-6-2)36(40)34-41-33-35(39)37(29-11-7-3)30-12-8-4/h5-34H2,1-4H3
InChIKeyZPYWNJODRRTCRE-UHFFFAOYSA-N
XLogP10.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds32
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.98
LogP ≤ 510.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide?
The IUPAC name of N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide (CID 132533602) is N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide.
What is the SMILES notation for N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide?
The canonical SMILES for N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide is CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=O)COCC(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide?
The InChIKey is ZPYWNJODRRTCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H72N2O3/c1-5-9-13-15-17-19-21-23-25-27-31-38(32-28-26-24-22-20-18-16-14-10-6-2)36(40)34-41-33-35(39)37(29-11-7-3)30-12-8-4/h5-34H2,1-4H3.
What are the key properties of N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide?
N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide has a molecular weight of 580.98 g/mol, XLogP of 10.10, 32 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-2-[2-(didodecylamino)-2-oxoethoxy]acetamide is sourced from PubChem (CID 132533602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).