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

C24H44N4O4 — CID 153455158

IUPAC14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide
SMILESCC(C)CCCCCCCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O
InChIInChI=1S/C24H44N4O4/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(29)25-17-16-22(30)27-20-18-26-24(32)28(3)23(20)31/h19-20H,4-18H2,1-3H3,(H,25,29)(H,26,32)(H,27,30)/t20-/m1/s1
InChIKeyKDOGKNPKMHEEDT-HXUWFJFHSA-N
MW452.64 g/mol
LogP3.50
Rot. Bonds17

About 14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide

14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide (PubChem CID 153455158) has the molecular formula C24H44N4O4 and a molecular weight of 452.64 g/mol. Its IUPAC name is 14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide.

Molecular Properties

Compound Name14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide
PubChem CID153455158
Molecular FormulaC24H44N4O4
Molecular Weight452.64 g/mol
Exact Mass452.34
IUPAC Name14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide
SMILESCC(C)CCCCCCCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O
InChIInChI=1S/C24H44N4O4/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(29)25-17-16-22(30)27-20-18-26-24(32)28(3)23(20)31/h19-20H,4-18H2,1-3H3,(H,25,29)(H,26,32)(H,27,30)/t20-/m1/s1
InChIKeyKDOGKNPKMHEEDT-HXUWFJFHSA-N
XLogP3.50
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.64
LogP ≤ 53.50
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 14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide?
The IUPAC name of 14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide (CID 153455158) is 14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide.
What is the SMILES notation for 14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide?
The canonical SMILES for 14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide is CC(C)CCCCCCCCCCCCC(=O)NCCC(=O)N[C@@H]1CNC(=O)N(C)C1=O.
What is the InChIKey of 14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide?
The InChIKey is KDOGKNPKMHEEDT-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H44N4O4/c1-19(2)14-12-10-8-6-4-5-7-9-11-13-15-21(29)25-17-16-22(30)27-20-18-26-24(32)28(3)23(20)31/h19-20H,4-18H2,1-3H3,(H,25,29)(H,26,32)(H,27,30)/t20-/m1/s1.
What are the key properties of 14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide?
14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide has a molecular weight of 452.64 g/mol, XLogP of 3.50, 17 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 14-methyl-N-[3-[[(5R)-1-methyl-2,6-dioxo-1,3-diazinan-5-yl]amino]-3-oxopropyl]pentadecanamide is sourced from PubChem (CID 153455158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).