3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide

C19H32N2O2 — CID 22104663

IUPAC3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCN(C)C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H32N2O2/c1-18(2,3)13-11-14(17(23)21(8)10-9-20-7)16(22)15(12-13)19(4,5)6/h11-12,20,22H,9-10H2,1-8H3
InChIKeyFMGYSLOMPJLJAK-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.28
Rot. Bonds4

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

3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide (PubChem CID 22104663) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
PubChem CID22104663
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
SMILESCNCCN(C)C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H32N2O2/c1-18(2,3)13-11-14(17(23)21(8)10-9-20-7)16(22)15(12-13)19(4,5)6/h11-12,20,22H,9-10H2,1-8H3
InChIKeyFMGYSLOMPJLJAK-UHFFFAOYSA-N
XLogP3.28
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-2-hydroxy-N,5-dimethyl-N-[2-(methylamino)ethyl]benzamide
CID 139769312
3,5-ditert-butyl-2-hydroxybenzoic acid;hafnium
CID 88921612
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
(4-tert-butylphenyl)-(3,5-ditert-butyl-2-hydroxyphenyl)methanone
CID 102497436
2,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 114368349
N,3,6-trimethyl-N-[2-(methylamino)ethyl]pyridazine-4-carboxamide
CID 104671510
N-methyl-N,2-bis[2-(methylamino)ethyl]benzamide
CID 104547950
4,5-dibromo-N-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 80537078
3,5-ditert-butyl-2-(3,5-ditert-butyl-2-hydroxybenzoyl)oxybenzoic acid
CID 175546183
N,2-dimethyl-N-[2-(methylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 103885112
3,5-ditert-butyl-2-hydroxybenzoic acid;formamide;titanium
CID 174960919
2-(3,5-ditert-butyl-4-hydroxyphenyl)-N-[4-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-methylpropanoyl]amino]butyl]-2-methylpropanamide
CID 139948412

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The IUPAC name of 3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide (CID 22104663) is 3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for 3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for 3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide is CNCCN(C)C(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide?
The InChIKey is FMGYSLOMPJLJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-18(2,3)13-11-14(17(23)21(8)10-9-20-7)16(22)15(12-13)19(4,5)6/h11-12,20,22H,9-10H2,1-8H3.
What are the key properties of 3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide?
3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide has a molecular weight of 320.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-2-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 22104663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).