N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide

C16H30N2O3 — CID 111331751

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-5-18(12-13(19)17-15(2,3)4)14(20)11-16(21)9-7-6-8-10-16/h21H,5-12H2,1-4H3,(H,17,19)
InChIKeyJBPJTTWWMZXORI-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.83
Rot. Bonds5

About N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide

N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide (PubChem CID 111331751) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide
PubChem CID111331751
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide
SMILESCCN(CC(=O)NC(C)(C)C)C(=O)CC1(O)CCCCC1
InChIInChI=1S/C16H30N2O3/c1-5-18(12-13(19)17-15(2,3)4)14(20)11-16(21)9-7-6-8-10-16/h21H,5-12H2,1-4H3,(H,17,19)
InChIKeyJBPJTTWWMZXORI-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide (CID 111331751) is N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide is CCN(CC(=O)NC(C)(C)C)C(=O)CC1(O)CCCCC1.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide?
The InChIKey is JBPJTTWWMZXORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-5-18(12-13(19)17-15(2,3)4)14(20)11-16(21)9-7-6-8-10-16/h21H,5-12H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide?
N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide has a molecular weight of 298.43 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-N-ethyl-2-(1-hydroxycyclohexyl)acetamide is sourced from PubChem (CID 111331751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).