tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate

C16H29NO3 — CID 106707162

IUPACtert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate
SMILESCCC1CCC(NC(=O)CCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-5-12-6-8-13(9-7-12)17-14(18)10-11-15(19)20-16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,18)
InChIKeyUGMBRCOHRUPHQQ-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.19
Rot. Bonds5

About tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate

tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate (PubChem CID 106707162) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nametert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate
PubChem CID106707162
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate
SMILESCCC1CCC(NC(=O)CCC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H29NO3/c1-5-12-6-8-13(9-7-12)17-14(18)10-11-15(19)20-16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,18)
InChIKeyUGMBRCOHRUPHQQ-UHFFFAOYSA-N
XLogP3.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(cyclobutylamino)-4-oxobutanoate
CID 106707367
tert-butyl 4-[[3-(cyclopropylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707567
tert-butyl 3-(4-ethylcyclohexyl)propanoate
CID 58103664
tert-butyl 4-[[1-(cyclopropylamino)-1-oxopropan-2-yl]amino]-4-oxobutanoate
CID 106707688
tert-butyl 4-[(2-methyloxan-4-yl)amino]-4-oxobutanoate
CID 106812356
4-chloro-N-(4-ethylcyclohexyl)butanamide
CID 63308231
tert-butyl N-[3-(cyclopropylamino)-3-oxopropyl]carbamate
CID 24688554
N,N'-dicyclopropylbutanediamide
CID 5225156
tert-butyl 3-[(4-propylcyclohexyl)amino]propanoate
CID 113243263
tert-butyl 4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoate
CID 106707504
2-(cyclopropylmethylamino)-N-(4-ethylcyclohexyl)acetamide;hydrochloride
CID 119716167
tert-butyl 4-(cyclohexylmethylamino)-4-oxobutanoate
CID 106706920

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate?
The IUPAC name of tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate (CID 106707162) is tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate.
What is the SMILES notation for tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate?
The canonical SMILES for tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate is CCC1CCC(NC(=O)CCC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate?
The InChIKey is UGMBRCOHRUPHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-5-12-6-8-13(9-7-12)17-14(18)10-11-15(19)20-16(2,3)4/h12-13H,5-11H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate?
tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate has a molecular weight of 283.41 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(4-ethylcyclohexyl)amino]-4-oxobutanoate is sourced from PubChem (CID 106707162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).