[2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate

C18H27NO4 — CID 1455084

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate
SMILESCc1cc(C(C)(C)C)oc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C18H27NO4/c1-12-10-14(18(2,3)4)23-16(12)17(21)22-11-15(20)19-13-8-6-5-7-9-13/h10,13H,5-9,11H2,1-4H3,(H,19,20)
InChIKeyBHRADGWITKMVJU-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.49
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate (PubChem CID 1455084) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate
PubChem CID1455084
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate
SMILESCc1cc(C(C)(C)C)oc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C18H27NO4/c1-12-10-14(18(2,3)4)23-16(12)17(21)22-11-15(20)19-13-8-6-5-7-9-13/h10,13H,5-9,11H2,1-4H3,(H,19,20)
InChIKeyBHRADGWITKMVJU-UHFFFAOYSA-N
XLogP3.49
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 3-methyl-1-benzofuran-2-carboxylate
CID 2653287
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328
[2-(cyclopentylamino)-2-oxoethyl] 2-methylfuran-3-carboxylate
CID 8966386
[2-(cyclooctylamino)-2-oxoethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 24817967
[2-(cyclohexylamino)-2-oxoethyl] 2-methyl-5-sulfamoylbenzoate
CID 55320965
N-cycloheptyl-2-(2,4,6-trimethylphenoxy)acetamide
CID 9218083
[2-(cyclooctylamino)-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 23884530
[2-(cyclopentylamino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 4137428
[2-(cyclopentylamino)-2-oxoethyl] 2-amino-5-methylbenzoate
CID 60768674
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
N-cycloheptyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604811

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate (CID 1455084) is [2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate is Cc1cc(C(C)(C)C)oc1C(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate?
The InChIKey is BHRADGWITKMVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-12-10-14(18(2,3)4)23-16(12)17(21)22-11-15(20)19-13-8-6-5-7-9-13/h10,13H,5-9,11H2,1-4H3,(H,19,20).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 5-tert-butyl-3-methylfuran-2-carboxylate is sourced from PubChem (CID 1455084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).