N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide

C24H42N6O6 — CID 121300676

IUPACN-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCn1c(=O)n(CCNC(=O)C(C)(C)C)c(=O)n(CCNC(=O)C(C)(C)C)c1=O
InChIInChI=1S/C24H42N6O6/c1-22(2,3)16(31)25-10-13-28-19(34)29(14-11-26-17(32)23(4,5)6)21(36)30(20(28)35)15-12-27-18(33)24(7,8)9/h10-15H2,1-9H3,(H,25,31)(H,26,32)(H,27,33)
InChIKeyCIKYSBIHXGKWOJ-UHFFFAOYSA-N
MW510.64 g/mol
LogP-0.34
Rot. Bonds9

About N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide

N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 121300676) has the molecular formula C24H42N6O6 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide
PubChem CID121300676
Molecular FormulaC24H42N6O6
Molecular Weight510.64 g/mol
Exact Mass510.32
IUPAC NameN-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCn1c(=O)n(CCNC(=O)C(C)(C)C)c(=O)n(CCNC(=O)C(C)(C)C)c1=O
InChIInChI=1S/C24H42N6O6/c1-22(2,3)16(31)25-10-13-28-19(34)29(14-11-26-17(32)23(4,5)6)21(36)30(20(28)35)15-12-27-18(33)24(7,8)9/h10-15H2,1-9H3,(H,25,31)(H,26,32)(H,27,33)
InChIKeyCIKYSBIHXGKWOJ-UHFFFAOYSA-N
XLogP-0.34
TPSA153.30 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide (CID 121300676) is N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCn1c(=O)n(CCNC(=O)C(C)(C)C)c(=O)n(CCNC(=O)C(C)(C)C)c1=O.
What is the InChIKey of N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide?
The InChIKey is CIKYSBIHXGKWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6O6/c1-22(2,3)16(31)25-10-13-28-19(34)29(14-11-26-17(32)23(4,5)6)21(36)30(20(28)35)15-12-27-18(33)24(7,8)9/h10-15H2,1-9H3,(H,25,31)(H,26,32)(H,27,33).
What are the key properties of N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide?
N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 510.64 g/mol, XLogP of -0.34, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 121300676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).