N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide

C21H35N5O5 — CID 20741664

IUPACN,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide
SMILESCC1(C)NC(C)(C)C(=O)N(CCN(C=O)CCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C21H35N5O5/c1-18(2)14(28)25(15(29)19(3,4)22-18)11-9-24(13-27)10-12-26-16(30)20(5,6)23-21(7,8)17(26)31/h13,22-23H,9-12H2,1-8H3
InChIKeyDLLZYJDKLHJHEN-UHFFFAOYSA-N
MW437.54 g/mol
LogP-0.52
Rot. Bonds7

About N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide

N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide (PubChem CID 20741664) has the molecular formula C21H35N5O5 and a molecular weight of 437.54 g/mol. Its IUPAC name is N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide
PubChem CID20741664
Molecular FormulaC21H35N5O5
Molecular Weight437.54 g/mol
Exact Mass437.26
IUPAC NameN,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide
SMILESCC1(C)NC(C)(C)C(=O)N(CCN(C=O)CCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C21H35N5O5/c1-18(2)14(28)25(15(29)19(3,4)22-18)11-9-24(13-27)10-12-26-16(30)20(5,6)23-21(7,8)17(26)31/h13,22-23H,9-12H2,1-8H3
InChIKeyDLLZYJDKLHJHEN-UHFFFAOYSA-N
XLogP-0.52
TPSA119.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide?
The IUPAC name of N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide (CID 20741664) is N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide.
What is the SMILES notation for N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide?
The canonical SMILES for N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide is CC1(C)NC(C)(C)C(=O)N(CCN(C=O)CCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O.
What is the InChIKey of N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide?
The InChIKey is DLLZYJDKLHJHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O5/c1-18(2)14(28)25(15(29)19(3,4)22-18)11-9-24(13-27)10-12-26-16(30)20(5,6)23-21(7,8)17(26)31/h13,22-23H,9-12H2,1-8H3.
What are the key properties of N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide?
N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide has a molecular weight of 437.54 g/mol, XLogP of -0.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[2-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)ethyl]formamide is sourced from PubChem (CID 20741664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).