3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide

C19H31NO3 — CID 2337501

IUPAC3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide
SMILESCC(C)(C)c1cc(C(=O)N(CCO)CCO)cc(C(C)(C)C)c1
InChIInChI=1S/C19H31NO3/c1-18(2,3)15-11-14(12-16(13-15)19(4,5)6)17(23)20(7-9-21)8-10-22/h11-13,21-22H,7-10H2,1-6H3
InChIKeyGDGAFQQYAWYWCM-UHFFFAOYSA-N
MW321.46 g/mol
LogP2.71
Rot. Bonds5

About 3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide

3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 2337501) has the molecular formula C19H31NO3 and a molecular weight of 321.46 g/mol. Its IUPAC name is 3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID2337501
Molecular FormulaC19H31NO3
Molecular Weight321.46 g/mol
Exact Mass321.23
IUPAC Name3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide
SMILESCC(C)(C)c1cc(C(=O)N(CCO)CCO)cc(C(C)(C)C)c1
InChIInChI=1S/C19H31NO3/c1-18(2,3)15-11-14(12-16(13-15)19(4,5)6)17(23)20(7-9-21)8-10-22/h11-13,21-22H,7-10H2,1-6H3
InChIKeyGDGAFQQYAWYWCM-UHFFFAOYSA-N
XLogP2.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.46
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide (CID 2337501) is 3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide is CC(C)(C)c1cc(C(=O)N(CCO)CCO)cc(C(C)(C)C)c1.
What is the InChIKey of 3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is GDGAFQQYAWYWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO3/c1-18(2,3)15-11-14(12-16(13-15)19(4,5)6)17(23)20(7-9-21)8-10-22/h11-13,21-22H,7-10H2,1-6H3.
What are the key properties of 3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide?
3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 321.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 2337501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).