N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide

C24H44N4O4 — CID 153455155

IUPACN-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O
InChIInChI=1S/C24H44N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)25-18-17-22(30)27-20-19-26-24(32)28(2)23(20)31/h20H,3-19H2,1-2H3,(H,25,29)(H,26,32)(H,27,30)/t20-/m1/s1
InChIKeyMDMKVKIIANGYHA-HXUWFJFHSA-N
MW452.64 g/mol
LogP3.64
Rot. Bonds18

About N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide

N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide (PubChem CID 153455155) has the molecular formula C24H44N4O4 and a molecular weight of 452.64 g/mol. Its IUPAC name is N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide.

Molecular Properties

Compound NameN-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide
PubChem CID153455155
Molecular FormulaC24H44N4O4
Molecular Weight452.64 g/mol
Exact Mass452.34
IUPAC NameN-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O
InChIInChI=1S/C24H44N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)25-18-17-22(30)27-20-19-26-24(32)28(2)23(20)31/h20H,3-19H2,1-2H3,(H,25,29)(H,26,32)(H,27,30)/t20-/m1/s1
InChIKeyMDMKVKIIANGYHA-HXUWFJFHSA-N
XLogP3.64
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.64
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide?
The IUPAC name of N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide (CID 153455155) is N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide.
What is the SMILES notation for N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide?
The canonical SMILES for N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide is CCCCCCCCCCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O.
What is the InChIKey of N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide?
The InChIKey is MDMKVKIIANGYHA-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H44N4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(29)25-18-17-22(30)27-20-19-26-24(32)28(2)23(20)31/h20H,3-19H2,1-2H3,(H,25,29)(H,26,32)(H,27,30)/t20-/m1/s1.
What are the key properties of N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide?
N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide has a molecular weight of 452.64 g/mol, XLogP of 3.64, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]hexadecanamide is sourced from PubChem (CID 153455155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).