N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide

C18H28N2O2 — CID 832498

IUPACN-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
SMILESCc1cc(C(C)(C)C)cc(C)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C18H28N2O2/c1-13-10-15(18(3,4)5)11-14(2)17(13)19-16(21)12-20-6-8-22-9-7-20/h10-11H,6-9,12H2,1-5H3,(H,19,21)
InChIKeyUCZNDMAYUPAOQC-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.87
Rot. Bonds3

About N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide

N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide (PubChem CID 832498) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
PubChem CID832498
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC NameN-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
SMILESCc1cc(C(C)(C)C)cc(C)c1NC(=O)CN1CCOCC1
InChIInChI=1S/C18H28N2O2/c1-13-10-15(18(3,4)5)11-14(2)17(13)19-16(21)12-20-6-8-22-9-7-20/h10-11H,6-9,12H2,1-5H3,(H,19,21)
InChIKeyUCZNDMAYUPAOQC-UHFFFAOYSA-N
XLogP2.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide (CID 832498) is N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide is Cc1cc(C(C)(C)C)cc(C)c1NC(=O)CN1CCOCC1.
What is the InChIKey of N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide?
The InChIKey is UCZNDMAYUPAOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13-10-15(18(3,4)5)11-14(2)17(13)19-16(21)12-20-6-8-22-9-7-20/h10-11H,6-9,12H2,1-5H3,(H,19,21).
What are the key properties of N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide?
N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide has a molecular weight of 304.43 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2,6-dimethylphenyl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 832498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).