3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide

C17H27NO3 — CID 21199638

IUPAC3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)CCc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C17H27NO3/c1-5-18(11-12-19)15(20)10-9-13-7-6-8-14(16(13)21)17(2,3)4/h6-8,19,21H,5,9-12H2,1-4H3
InChIKeyOYKGQPLATTZDPV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.46
Rot. Bonds6

About 3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide

3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide (PubChem CID 21199638) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
PubChem CID21199638
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
SMILESCCN(CCO)C(=O)CCc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C17H27NO3/c1-5-18(11-12-19)15(20)10-9-13-7-6-8-14(16(13)21)17(2,3)4/h6-8,19,21H,5,9-12H2,1-4H3
InChIKeyOYKGQPLATTZDPV-UHFFFAOYSA-N
XLogP2.46
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol
CID 21199770
3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide
CID 21199692
4-(3-tert-butyl-2-hydroxyphenyl)butanoic acid
CID 117345129
3-(2-ethoxyphenyl)-N-ethyl-N-(3-hydroxypropyl)propanamide
CID 115771921
3-(2-aminophenyl)-N-ethyl-N-propylpropanamide
CID 43309247
4-tert-butyl-N-[3-[ethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 78796540
3-(2-bromophenyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)propanamide
CID 111596500
3-[3-(2-fluoropropan-2-yl)-2-hydroxyphenyl]propanoic acid
CID 84690441
N,N-bis(2-hydroxyethyl)-3-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanamide
CID 175662974
3-(5-amino-2,4-dimethoxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 82183862
N-(3-bromopropyl)-N-ethyl-3-(2-methylphenyl)propanamide
CID 113469201
3-(benzenesulfonyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 60740141

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide (CID 21199638) is 3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide is CCN(CCO)C(=O)CCc1cccc(C(C)(C)C)c1O.
What is the InChIKey of 3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is OYKGQPLATTZDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-18(11-12-19)15(20)10-9-13-7-6-8-14(16(13)21)17(2,3)4/h6-8,19,21H,5,9-12H2,1-4H3.
What are the key properties of 3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide?
3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 21199638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).