2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide

C25H42N2O2 — CID 19363180

IUPAC2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide
SMILESCCNC(=O)C(NCC1CCCCC1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C25H42N2O2/c1-8-26-23(29)21(27-16-17-12-10-9-11-13-17)18-14-19(24(2,3)4)22(28)20(15-18)25(5,6)7/h14-15,17,21,27-28H,8-13,16H2,1-7H3,(H,26,29)
InChIKeyCQYPLYYUXDZHNU-UHFFFAOYSA-N
MW402.62 g/mol
LogP5.33
Rot. Bonds6

About 2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide

2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide (PubChem CID 19363180) has the molecular formula C25H42N2O2 and a molecular weight of 402.62 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide
PubChem CID19363180
Molecular FormulaC25H42N2O2
Molecular Weight402.62 g/mol
Exact Mass402.32
IUPAC Name2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide
SMILESCCNC(=O)C(NCC1CCCCC1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C25H42N2O2/c1-8-26-23(29)21(27-16-17-12-10-9-11-13-17)18-14-19(24(2,3)4)22(28)20(15-18)25(5,6)7/h14-15,17,21,27-28H,8-13,16H2,1-7H3,(H,26,29)
InChIKeyCQYPLYYUXDZHNU-UHFFFAOYSA-N
XLogP5.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.62
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide?
The IUPAC name of 2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide (CID 19363180) is 2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide.
What is the SMILES notation for 2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide?
The canonical SMILES for 2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide is CCNC(=O)C(NCC1CCCCC1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide?
The InChIKey is CQYPLYYUXDZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42N2O2/c1-8-26-23(29)21(27-16-17-12-10-9-11-13-17)18-14-19(24(2,3)4)22(28)20(15-18)25(5,6)7/h14-15,17,21,27-28H,8-13,16H2,1-7H3,(H,26,29).
What are the key properties of 2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide?
2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide has a molecular weight of 402.62 g/mol, XLogP of 5.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)-2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-ethylacetamide is sourced from PubChem (CID 19363180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).