3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide

C16H26N2O2 — CID 139769312

IUPAC3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCN(C)C(=O)c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H26N2O2/c1-11-9-12(15(20)18(6)8-7-17-5)14(19)13(10-11)16(2,3)4/h9-10,17,19H,7-8H2,1-6H3
InChIKeyHZOGMHOKADWOAE-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.29
Rot. Bonds4

About 3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide

3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide (PubChem CID 139769312) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide
PubChem CID139769312
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCN(C)C(=O)c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C16H26N2O2/c1-11-9-12(15(20)18(6)8-7-17-5)14(19)13(10-11)16(2,3)4/h9-10,17,19H,7-8H2,1-6H3
InChIKeyHZOGMHOKADWOAE-UHFFFAOYSA-N
XLogP2.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 22104663
3-tert-butyl-2-hydroxy-5-methylbenzoic acid
CID 3736139
2-chloro-5-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 106500873
N,3,6-trimethyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671510
3-tert-butyl-N-[(2S)-2-[(3-tert-butyl-2-hydroxy-5-methylbenzoyl)amino]propyl]-2-hydroxy-5-methylbenzamide
CID 140974902
3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110763107
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349
N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 103885112
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide (CID 139769312) is 3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide is CNCCN(C)C(=O)c1cc(C)cc(C(C)(C)C)c1O.
What is the InChIKey of 3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is HZOGMHOKADWOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11-9-12(15(20)18(6)8-7-17-5)14(19)13(10-11)16(2,3)4/h9-10,17,19H,7-8H2,1-6H3.
What are the key properties of 3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide?
3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 278.40 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 139769312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).