2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide

C15H23NO3 — CID 21119514

IUPAC2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide
SMILESCC(O)NC(=O)c1cc(C(C)C)cc(C(C)C)c1O
InChIInChI=1S/C15H23NO3/c1-8(2)11-6-12(9(3)4)14(18)13(7-11)15(19)16-10(5)17/h6-10,17-18H,1-5H3,(H,16,19)
InChIKeyOVBPIRUQZYUOHU-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.71
Rot. Bonds4

About 2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide

2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide (PubChem CID 21119514) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide
PubChem CID21119514
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide
SMILESCC(O)NC(=O)c1cc(C(C)C)cc(C(C)C)c1O
InChIInChI=1S/C15H23NO3/c1-8(2)11-6-12(9(3)4)14(18)13(7-11)15(19)16-10(5)17/h6-10,17-18H,1-5H3,(H,16,19)
InChIKeyOVBPIRUQZYUOHU-UHFFFAOYSA-N
XLogP2.71
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3,5-di(propan-2-yl)benzoic acid;zinc
CID 70405598
chromium;bis(2-hydroxy-3,5-di(propan-2-yl)benzoic acid);hydrate
CID 11979740
N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide
CID 39959722
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
ethyl 3-aminobutanoate;2-hydroxy-3,5-di(propan-2-yl)benzoic acid;3-[[2-hydroxy-3,5-di(propan-2-yl)benzoyl]amino]butanoic acid
CID 159337764
(4-methoxycarbonylphenyl) 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 12825841
[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2531108
[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 18078321
N-[1-(5-bromothiophen-2-yl)propylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide
CID 4177220
2-hydroxy-N-[(4R,5S)-5-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3,5-di(propan-2-yl)benzamide;hydrochloride
CID 154915598
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-hydroxy-3,5-di(propan-2-yl)benzamide
CID 4581452
copper;bis(2-hydroxy-3,5-di(propan-2-yl)benzoate);2-pyridin-2-ylpyridine
CID 139206344

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide (CID 21119514) is 2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide is CC(O)NC(=O)c1cc(C(C)C)cc(C(C)C)c1O.
What is the InChIKey of 2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide?
The InChIKey is OVBPIRUQZYUOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-8(2)11-6-12(9(3)4)14(18)13(7-11)15(19)16-10(5)17/h6-10,17-18H,1-5H3,(H,16,19).
What are the key properties of 2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide?
2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide has a molecular weight of 265.35 g/mol, XLogP of 2.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide is sourced from PubChem (CID 21119514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).