N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide

C28H55N5O2 — CID 3033979

IUPACN,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCCCCCCCCCCCCCCN1CCN(CCN2CCN(C(=O)N(CC)CC)CC2)C1=O
InChIInChI=1S/C28H55N5O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-31-25-26-33(28(31)35)24-21-29-19-22-32(23-20-29)27(34)30(5-2)6-3/h4-26H2,1-3H3
InChIKeyOQXWEZVLEIJVSI-UHFFFAOYSA-N
MW493.78 g/mol
LogP5.50
Rot. Bonds18

About N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide

N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide (PubChem CID 3033979) has the molecular formula C28H55N5O2 and a molecular weight of 493.78 g/mol. Its IUPAC name is N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide
PubChem CID3033979
Molecular FormulaC28H55N5O2
Molecular Weight493.78 g/mol
Exact Mass493.44
IUPAC NameN,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide
SMILESCCCCCCCCCCCCCCN1CCN(CCN2CCN(C(=O)N(CC)CC)CC2)C1=O
InChIInChI=1S/C28H55N5O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-31-25-26-33(28(31)35)24-21-29-19-22-32(23-20-29)27(34)30(5-2)6-3/h4-26H2,1-3H3
InChIKeyOQXWEZVLEIJVSI-UHFFFAOYSA-N
XLogP5.50
TPSA50.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.78
LogP ≤ 55.50
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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Related Compounds

N,N-dibutyl-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)ethyl]piperazine-1-carboxamide
CID 154271776
1,3-dioctylimidazolidin-2-one
CID 19987667
4-(3-aminopropyl)-N,N-diethylpiperazine-1-carboxamide
CID 79153561
1,3-dibutylimidazolidin-2-one
CID 20887
N,N-diethyl-4-methyl-4-tetradecylpiperazin-4-ium-1-carboxamide
CID 3030329
4-octylpiperazine-1-carboxylic acid
CID 22047855
4-ethyl-N,N-dipropylpiperazine-1-carboxamide
CID 108988508
4-nonylpiperazine-1-carboxamide
CID 13213299
1-decyl-3-hydroxy-1,3-diazinan-2-one
CID 15675482
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
1-(4-octylpiperazin-1-yl)butan-1-one
CID 170041976

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide (CID 3033979) is N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide is CCCCCCCCCCCCCCN1CCN(CCN2CCN(C(=O)N(CC)CC)CC2)C1=O.
What is the InChIKey of N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is OQXWEZVLEIJVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H55N5O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-31-25-26-33(28(31)35)24-21-29-19-22-32(23-20-29)27(34)30(5-2)6-3/h4-26H2,1-3H3.
What are the key properties of N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide?
N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 493.78 g/mol, XLogP of 5.50, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[2-(2-oxo-3-tetradecylimidazolidin-1-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 3033979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).