octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate

C24H44N6O4 — CID 118920883

IUPACoctyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate
SMILESCCCCCCCCOC(=O)N(C)c1nc(NC)nc(N(C)C(=O)OCCCCCCCC)n1
InChIInChI=1S/C24H44N6O4/c1-6-8-10-12-14-16-18-33-23(31)29(4)21-26-20(25-3)27-22(28-21)30(5)24(32)34-19-17-15-13-11-9-7-2/h6-19H2,1-5H3,(H,25,26,27,28)
InChIKeyFJHGZUAFGHZLPK-UHFFFAOYSA-N
MW480.65 g/mol
LogP5.78
Rot. Bonds17

About octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate

octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate (PubChem CID 118920883) has the molecular formula C24H44N6O4 and a molecular weight of 480.65 g/mol. Its IUPAC name is octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate.

Molecular Properties

Compound Nameoctyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate
PubChem CID118920883
Molecular FormulaC24H44N6O4
Molecular Weight480.65 g/mol
Exact Mass480.34
IUPAC Nameoctyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate
SMILESCCCCCCCCOC(=O)N(C)c1nc(NC)nc(N(C)C(=O)OCCCCCCCC)n1
InChIInChI=1S/C24H44N6O4/c1-6-8-10-12-14-16-18-33-23(31)29(4)21-26-20(25-3)27-22(28-21)30(5)24(32)34-19-17-15-13-11-9-7-2/h6-19H2,1-5H3,(H,25,26,27,28)
InChIKeyFJHGZUAFGHZLPK-UHFFFAOYSA-N
XLogP5.78
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds17
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.65
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

heptyl N,N-dimethylcarbamate
CID 91542338
dotriacontyl N,N-dimethylcarbamate
CID 175802283
pentyl N,N-dimethylcarbamate
CID 18534522
undecyl N-methyl-N-pentylcarbamate
CID 54297307
hexyl N,N-bis(sulfanyl)carbamate
CID 57100182
nickel;octyl N,N-bis(sulfanyl)carbamate
CID 88681051
octyl N,N-di(nonyl)carbamate
CID 168918776
octyl N,N-di(undecyl)carbamate
CID 168918683
pentyl N-methyl-N-propylcarbamate
CID 58662040
octadecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729786
octyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729777
tetradecyl 2-[hexoxycarbonyl(methyl)amino]propanoate
CID 91729783

Frequently Asked Questions

What is the IUPAC name of octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate?
The IUPAC name of octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate (CID 118920883) is octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate.
What is the SMILES notation for octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate?
The canonical SMILES for octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate is CCCCCCCCOC(=O)N(C)c1nc(NC)nc(N(C)C(=O)OCCCCCCCC)n1.
What is the InChIKey of octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate?
The InChIKey is FJHGZUAFGHZLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44N6O4/c1-6-8-10-12-14-16-18-33-23(31)29(4)21-26-20(25-3)27-22(28-21)30(5)24(32)34-19-17-15-13-11-9-7-2/h6-19H2,1-5H3,(H,25,26,27,28).
What are the key properties of octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate?
octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate has a molecular weight of 480.65 g/mol, XLogP of 5.78, 17 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for octyl N-methyl-N-[4-(methylamino)-6-[methyl(octoxycarbonyl)amino]-1,3,5-triazin-2-yl]carbamate is sourced from PubChem (CID 118920883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).