[2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate

C24H30N2O6 — CID 10366067

IUPAC[2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate
SMILESCOc1ccc2c(C3COC(CCCNC(=O)OCC(=O)NC4CC4)OC3)cccc2c1
InChIInChI=1S/C24H30N2O6/c1-29-19-9-10-21-16(12-19)4-2-5-20(21)17-13-30-23(31-14-17)6-3-11-25-24(28)32-15-22(27)26-18-7-8-18/h2,4-5,9-10,12,17-18,23H,3,6-8,11,13-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyHYFWBEVSCWFXPP-UHFFFAOYSA-N
MW442.51 g/mol
LogP3.09
Rot. Bonds9

About [2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate

[2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate (PubChem CID 10366067) has the molecular formula C24H30N2O6 and a molecular weight of 442.51 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate
PubChem CID10366067
Molecular FormulaC24H30N2O6
Molecular Weight442.51 g/mol
Exact Mass442.21
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate
SMILESCOc1ccc2c(C3COC(CCCNC(=O)OCC(=O)NC4CC4)OC3)cccc2c1
InChIInChI=1S/C24H30N2O6/c1-29-19-9-10-21-16(12-19)4-2-5-20(21)17-13-30-23(31-14-17)6-3-11-25-24(28)32-15-22(27)26-18-7-8-18/h2,4-5,9-10,12,17-18,23H,3,6-8,11,13-15H2,1H3,(H,25,28)(H,26,27)
InChIKeyHYFWBEVSCWFXPP-UHFFFAOYSA-N
XLogP3.09
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 [2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate (CID 10366067) is [2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate is COc1ccc2c(C3COC(CCCNC(=O)OCC(=O)NC4CC4)OC3)cccc2c1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate?
The InChIKey is HYFWBEVSCWFXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O6/c1-29-19-9-10-21-16(12-19)4-2-5-20(21)17-13-30-23(31-14-17)6-3-11-25-24(28)32-15-22(27)26-18-7-8-18/h2,4-5,9-10,12,17-18,23H,3,6-8,11,13-15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate?
[2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate has a molecular weight of 442.51 g/mol, XLogP of 3.09, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] N-[3-[5-(6-methoxynaphthalen-1-yl)-1,3-dioxan-2-yl]propyl]carbamate is sourced from PubChem (CID 10366067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).