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

C20H40N2O3 — CID 12855444

IUPACN,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide
SMILESCCCCN(CCCC)C(=O)COCC(=O)N(CCCC)CCCC
InChIInChI=1S/C20H40N2O3/c1-5-9-13-21(14-10-6-2)19(23)17-25-18-20(24)22(15-11-7-3)16-12-8-4/h5-18H2,1-4H3
InChIKeyYFMTUEQOIRXZOE-UHFFFAOYSA-N
MW356.55 g/mol
LogP3.86
Rot. Bonds16

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

N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide (PubChem CID 12855444) has the molecular formula C20H40N2O3 and a molecular weight of 356.55 g/mol. Its IUPAC name is N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide.

Molecular Properties

Compound NameN,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide
PubChem CID12855444
Molecular FormulaC20H40N2O3
Molecular Weight356.55 g/mol
Exact Mass356.30
IUPAC NameN,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide
SMILESCCCCN(CCCC)C(=O)COCC(=O)N(CCCC)CCCC
InChIInChI=1S/C20H40N2O3/c1-5-9-13-21(14-10-6-2)19(23)17-25-18-20(24)22(15-11-7-3)16-12-8-4/h5-18H2,1-4H3
InChIKeyYFMTUEQOIRXZOE-UHFFFAOYSA-N
XLogP3.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.55
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide?
The IUPAC name of N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide (CID 12855444) is N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide.
What is the SMILES notation for N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide?
The canonical SMILES for N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide is CCCCN(CCCC)C(=O)COCC(=O)N(CCCC)CCCC.
What is the InChIKey of N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide?
The InChIKey is YFMTUEQOIRXZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O3/c1-5-9-13-21(14-10-6-2)19(23)17-25-18-20(24)22(15-11-7-3)16-12-8-4/h5-18H2,1-4H3.
What are the key properties of N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide?
N,N-dibutyl-2-[2-(dibutylamino)-2-oxoethoxy]acetamide has a molecular weight of 356.55 g/mol, XLogP of 3.86, 16 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-(dibutylamino)-2-oxoethoxy]acetamide is sourced from PubChem (CID 12855444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).