[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C18H26N2O4 — CID 16524410

IUPAC[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C18H26N2O4/c1-4-23-17-14(8-6-10-19-17)18(22)24-11-16(21)20-15-9-5-7-12(2)13(15)3/h6,8,10,12-13,15H,4-5,7,9,11H2,1-3H3,(H,20,21)
InChIKeyYVFZGKPISQFDRT-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.58
Rot. Bonds6

About [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 16524410) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID16524410
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NC1CCCC(C)C1C
InChIInChI=1S/C18H26N2O4/c1-4-23-17-14(8-6-10-19-17)18(22)24-11-16(21)20-15-9-5-7-12(2)13(15)3/h6,8,10,12-13,15H,4-5,7,9,11H2,1-3H3,(H,20,21)
InChIKeyYVFZGKPISQFDRT-UHFFFAOYSA-N
XLogP2.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 3986821
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-hydroxybenzoate
CID 6597138
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 7776590
[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2428741
[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2428743
[2-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-chlorobenzoate
CID 2624406
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-methylbenzoate
CID 16522820
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 55385419
[2-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 11934268
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] naphthalene-1-carboxylate
CID 3559512
[2-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] pyridine-3-carboxylate
CID 11941095
[2-[[(1S,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 11926244

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 16524410) is [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)NC1CCCC(C)C1C.
What is the InChIKey of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is YVFZGKPISQFDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-4-23-17-14(8-6-10-19-17)18(22)24-11-16(21)20-15-9-5-7-12(2)13(15)3/h6,8,10,12-13,15H,4-5,7,9,11H2,1-3H3,(H,20,21).
What are the key properties of [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 16524410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).