3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide

C19H31NO2 — CID 830652

IUPAC3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide
SMILESCCN(CC)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO2/c1-9-20(10-2)17(22)13-11-14(18(3,4)5)16(21)15(12-13)19(6,7)8/h11-12,21H,9-10H2,1-8H3
InChIKeyCRGGZROSUFGGFE-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.47
Rot. Bonds3

About 3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide

3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide (PubChem CID 830652) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide
PubChem CID830652
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide
SMILESCCN(CC)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C19H31NO2/c1-9-20(10-2)17(22)13-11-14(18(3,4)5)16(21)15(12-13)19(6,7)8/h11-12,21H,9-10H2,1-8H3
InChIKeyCRGGZROSUFGGFE-UHFFFAOYSA-N
XLogP4.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

AM-1172
CID 10364179
2-Tert-butyl-4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)phenol
CID 11955465
US9676786, example 6
CID 118195533
[4-hydroxy-3,5-di(propan-2-yl)phenyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 118195560
(3-Fluoroazetidin-1-yl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone
CID 118195567
[4-Hydroxy-3,5-di(propan-2-yl)phenyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone
CID 118195581
1-(Azetidin-1-yl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)propan-1-one
CID 9207941
N,3,5-tritert-butyl-4-hydroxybenzamide
CID 1203452
(4-Hydroxyphenyl)(4-methylpiperazin-1-yl)methanone
CID 4740811
1-{3-[(Diethylamino)methyl]-4-hydroxyphenyl}ethan-1-one hydrochloride
CID 9551996
4-hydroxy-N,N-dimethylbenzamide
CID 309822
N,N-diethyl-4-hydroxybenzamide
CID 504154

Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide?
The IUPAC name of 3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide (CID 830652) is 3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide.
What is the SMILES notation for 3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide?
The canonical SMILES for 3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide is CCN(CC)C(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide?
The InChIKey is CRGGZROSUFGGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-9-20(10-2)17(22)13-11-14(18(3,4)5)16(21)15(12-13)19(6,7)8/h11-12,21H,9-10H2,1-8H3.
What are the key properties of 3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide?
3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide has a molecular weight of 305.46 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N,N-diethyl-4-hydroxybenzamide is sourced from PubChem (CID 830652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).