(5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate

C14H25NO3 — CID 25196076

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate
SMILESCCNC(=O)C(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H25NO3/c1-5-15-13(16)14(17)18-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,15,16)
InChIKeyVTSKTHILUKZQTB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.13
Rot. Bonds3

About (5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate

(5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate (PubChem CID 25196076) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate
PubChem CID25196076
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate
SMILESCCNC(=O)C(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C14H25NO3/c1-5-15-13(16)14(17)18-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,15,16)
InChIKeyVTSKTHILUKZQTB-UHFFFAOYSA-N
XLogP2.13
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-ethylcarbamate
CID 92975131
(5-methyl-2-propan-2-ylcyclohexyl) 2-(methylamino)-2-oxoacetate
CID 25196073
cis-2-O-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 1-O-[(1S,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (1R,2S)-cyclopropane-1,2-dicarboxylate
CID 129460596
bis[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] propanedioate
CID 14226058
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-butylcarbamate
CID 58534266
1-O-(5-methyl-2-propan-2-ylcyclohexyl) 4-O-[(5R)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 70248919
1-O-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl] 4-O-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] butanedioate
CID 124925356
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-(bromomethyl)prop-2-enoate
CID 11779730
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] N-pentylcarbamate
CID 58715353
2-O-(5-methyl-2-propan-2-ylcyclohexyl) 1-O-pentyl oxalate
CID 6421326
[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] carbonochloridate
CID 13308514
(5-methyl-2-propan-2-ylcyclohexyl) 2-fluoroprop-2-enoate
CID 69329469

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate (CID 25196076) is (5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate is CCNC(=O)C(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate?
The InChIKey is VTSKTHILUKZQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-5-15-13(16)14(17)18-12-8-10(4)6-7-11(12)9(2)3/h9-12H,5-8H2,1-4H3,(H,15,16).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate?
(5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate has a molecular weight of 255.36 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) 2-(ethylamino)-2-oxoacetate is sourced from PubChem (CID 25196076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).