ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate

C18H26N2O6 — CID 54026144

IUPACethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate
SMILESCCCCOC(=O)CNC(=O)c1ncc(C(=O)OCC)cc1OC(C)C
InChIInChI=1S/C18H26N2O6/c1-5-7-8-25-15(21)11-20-17(22)16-14(26-12(3)4)9-13(10-19-16)18(23)24-6-2/h9-10,12H,5-8,11H2,1-4H3,(H,20,22)
InChIKeyLCHRPIFWARCPGB-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.12
Rot. Bonds10

About ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate

ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate (PubChem CID 54026144) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate
PubChem CID54026144
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Nameethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate
SMILESCCCCOC(=O)CNC(=O)c1ncc(C(=O)OCC)cc1OC(C)C
InChIInChI=1S/C18H26N2O6/c1-5-7-8-25-15(21)11-20-17(22)16-14(26-12(3)4)9-13(10-19-16)18(23)24-6-2/h9-10,12H,5-8,11H2,1-4H3,(H,20,22)
InChIKeyLCHRPIFWARCPGB-UHFFFAOYSA-N
XLogP2.12
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

heptyl 5-methoxy-6-[(2-octoxy-2-oxoethyl)carbamoyl]pyridine-3-carboxylate
CID 54061155
pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate
CID 67697237
hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate
CID 67698257
ethyl 2-[(4-pentoxybenzoyl)amino]acetate
CID 4935106
5-ethoxycarbonyl-3-propoxypyridine-2-carboxylic acid
CID 22923831
ethyl 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 22363167
ethyl 2-[[5-(decylsulfonylcarbamoyl)-3-methoxypyridine-2-carbonyl]amino]acetate
CID 54557989
ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate
CID 133062104
octyl 2-[[5-(3-butoxypropylcarbamoyl)-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 67697944
butyl 2-(4-propan-2-yloxyanilino)acetate
CID 60822958
5-ethoxycarbonyl-3-methoxypyridine-2-carboxylic acid
CID 22923766
ethyl 2-[[4-(3-methylbutoxy)benzoyl]amino]acetate
CID 4948251

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate?
The IUPAC name of ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate (CID 54026144) is ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate is CCCCOC(=O)CNC(=O)c1ncc(C(=O)OCC)cc1OC(C)C.
What is the InChIKey of ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate?
The InChIKey is LCHRPIFWARCPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-5-7-8-25-15(21)11-20-17(22)16-14(26-12(3)4)9-13(10-19-16)18(23)24-6-2/h9-10,12H,5-8,11H2,1-4H3,(H,20,22).
What are the key properties of ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate?
ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate has a molecular weight of 366.41 g/mol, XLogP of 2.12, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate is sourced from PubChem (CID 54026144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).