hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate

C18H26N2O7 — CID 67698257

IUPAChexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate
SMILESCCCCCCOC(=O)c1cnc(OC(=O)NCC(=O)OCC)c(OC)c1
InChIInChI=1S/C18H26N2O7/c1-4-6-7-8-9-26-17(22)13-10-14(24-3)16(19-11-13)27-18(23)20-12-15(21)25-5-2/h10-11H,4-9,12H2,1-3H3,(H,20,23)
InChIKeyIXCPYIVSHOZBQH-UHFFFAOYSA-N
MW382.41 g/mol
LogP2.48
Rot. Bonds11

About hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate

hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate (PubChem CID 67698257) has the molecular formula C18H26N2O7 and a molecular weight of 382.41 g/mol. Its IUPAC name is hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namehexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate
PubChem CID67698257
Molecular FormulaC18H26N2O7
Molecular Weight382.41 g/mol
Exact Mass382.17
IUPAC Namehexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate
SMILESCCCCCCOC(=O)c1cnc(OC(=O)NCC(=O)OCC)c(OC)c1
InChIInChI=1S/C18H26N2O7/c1-4-6-7-8-9-26-17(22)13-10-14(24-3)16(19-11-13)27-18(23)20-12-15(21)25-5-2/h10-11H,4-9,12H2,1-3H3,(H,20,23)
InChIKeyIXCPYIVSHOZBQH-UHFFFAOYSA-N
XLogP2.48
TPSA113.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 52.48
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

pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate
CID 67697237
octyl 2-[[5-(3-butoxypropylcarbamoyl)-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 67697944
heptyl 5-methoxy-6-[(2-octoxy-2-oxoethyl)carbamoyl]pyridine-3-carboxylate
CID 54061155
ethyl 2-[[5-(hexadecylsulfonylcarbamoyl)-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 70276197
ethyl 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 22363167
octyl 3,4,5-trimethoxybenzoate
CID 54343365
octadecyl 3,4,5-trimethoxybenzoate
CID 19820326
tridecyl 2-(ethoxycarbonylamino)acetate
CID 6421885
hexyl 2-(ethoxycarbonylamino)acetate
CID 6421848
ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate
CID 54026144
ethyl 2-[[5-(decylsulfonylcarbamoyl)-3-methoxypyridine-2-carbonyl]amino]acetate
CID 54557989
dioctyl pyridine-3,5-dicarboxylate
CID 102176297

Frequently Asked Questions

What is the IUPAC name of hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate?
The IUPAC name of hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate (CID 67698257) is hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate.
What is the SMILES notation for hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate?
The canonical SMILES for hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate is CCCCCCOC(=O)c1cnc(OC(=O)NCC(=O)OCC)c(OC)c1.
What is the InChIKey of hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate?
The InChIKey is IXCPYIVSHOZBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O7/c1-4-6-7-8-9-26-17(22)13-10-14(24-3)16(19-11-13)27-18(23)20-12-15(21)25-5-2/h10-11H,4-9,12H2,1-3H3,(H,20,23).
What are the key properties of hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate?
hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate has a molecular weight of 382.41 g/mol, XLogP of 2.48, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate is sourced from PubChem (CID 67698257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).