N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide

C23H39NO3 — CID 21199806

IUPACN-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)N(CCO)C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H39NO3/c1-21(2,3)17-14-16(15-18(20(17)27)22(4,5)6)10-11-19(26)24(12-13-25)23(7,8)9/h14-15,25,27H,10-13H2,1-9H3
InChIKeyQUJNHMWVYFHJJS-UHFFFAOYSA-N
MW377.57 g/mol
LogP4.54
Rot. Bonds5

About N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide

N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide (PubChem CID 21199806) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide
PubChem CID21199806
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC NameN-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide
SMILESCC(C)(C)c1cc(CCC(=O)N(CCO)C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H39NO3/c1-21(2,3)17-14-16(15-18(20(17)27)22(4,5)6)10-11-19(26)24(12-13-25)23(7,8)9/h14-15,25,27H,10-13H2,1-9H3
InChIKeyQUJNHMWVYFHJJS-UHFFFAOYSA-N
XLogP4.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 3810668
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-pentylpropanehydrazide
CID 139821998
acetic acid;3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid
CID 162335538
tris(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);ethene
CID 159818911
2,2-bis(hydroxymethyl)propane-1,3-diol;tetrakis(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid)
CID 53442841
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 159165409
bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);2,2-dimethylpropane-1,3-diol
CID 87082083
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2,5-dioxopyrrol-1-yl)-N-hydroxypropanamide
CID 57301834
bis(3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid);2-ethoxyethanol
CID 87433847
3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid;ethene;methane
CID 159967546
ethyl 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate;phosphane
CID 175291494
(2,3,4,5,6-pentahydroxycyclohexyl) 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoate
CID 155475940

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide (CID 21199806) is N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide is CC(C)(C)c1cc(CCC(=O)N(CCO)C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide?
The InChIKey is QUJNHMWVYFHJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO3/c1-21(2,3)17-14-16(15-18(20(17)27)22(4,5)6)10-11-19(26)24(12-13-25)23(7,8)9/h14-15,25,27H,10-13H2,1-9H3.
What are the key properties of N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide?
N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide has a molecular weight of 377.57 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 21199806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).