4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide

C17H26N2O2 — CID 690446

IUPAC4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)15-6-4-14(5-7-15)16(20)18-8-9-19-10-12-21-13-11-19/h4-7H,8-13H2,1-3H3,(H,18,20)
InChIKeyINFBBMJKSJJOQW-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.05
Rot. Bonds4

About 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide

4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 690446) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID690446
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCN2CCOCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)15-6-4-14(5-7-15)16(20)18-8-9-19-10-12-21-13-11-19/h4-7H,8-13H2,1-3H3,(H,18,20)
InChIKeyINFBBMJKSJJOQW-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide (CID 690446) is 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide is CC(C)(C)c1ccc(C(=O)NCCN2CCOCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is INFBBMJKSJJOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)15-6-4-14(5-7-15)16(20)18-8-9-19-10-12-21-13-11-19/h4-7H,8-13H2,1-3H3,(H,18,20).
What are the key properties of 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide?
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 690446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).