2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride

C18H29ClN2O3 — CID 2947712

IUPAC2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
SMILESCC(C)(C)c1ccc(OCC(=O)NCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-18(2,3)15-4-6-16(7-5-15)23-14-17(21)19-8-9-20-10-12-22-13-11-20;/h4-7H,8-14H2,1-3H3,(H,19,21);1H
InChIKeyRKUVKOVODKKQGW-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.23
Rot. Bonds6

About 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride

2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride (PubChem CID 2947712) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
PubChem CID2947712
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride
SMILESCC(C)(C)c1ccc(OCC(=O)NCCN2CCOCC2)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-18(2,3)15-4-6-16(7-5-15)23-14-17(21)19-8-9-20-10-12-22-13-11-20;/h4-7H,8-14H2,1-3H3,(H,19,21);1H
InChIKeyRKUVKOVODKKQGW-UHFFFAOYSA-N
XLogP2.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride (CID 2947712) is 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride is CC(C)(C)c1ccc(OCC(=O)NCCN2CCOCC2)cc1.Cl.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?
The InChIKey is RKUVKOVODKKQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-18(2,3)15-4-6-16(7-5-15)23-14-17(21)19-8-9-20-10-12-22-13-11-20;/h4-7H,8-14H2,1-3H3,(H,19,21);1H.
What are the key properties of 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride?
2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(2-morpholin-4-ylethyl)acetamide;hydrochloride is sourced from PubChem (CID 2947712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).