N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide

C17H26N2O3 — CID 39959722

IUPACN-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide
SMILESCC(C)c1cc(C(=O)NCC(=O)N(C)C)c(O)c(C(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-10(2)12-7-13(11(3)4)16(21)14(8-12)17(22)18-9-15(20)19(5)6/h7-8,10-11,21H,9H2,1-6H3,(H,18,22)
InChIKeyDWBVVELMNJOOFL-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.46
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide

N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide (PubChem CID 39959722) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide
PubChem CID39959722
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide
SMILESCC(C)c1cc(C(=O)NCC(=O)N(C)C)c(O)c(C(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-10(2)12-7-13(11(3)4)16(21)14(8-12)17(22)18-9-15(20)19(5)6/h7-8,10-11,21H,9H2,1-6H3,(H,18,22)
InChIKeyDWBVVELMNJOOFL-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(dimethylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 18078321
2-hydroxy-N-(1-hydroxyethyl)-3,5-di(propan-2-yl)benzamide
CID 21119514
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
[2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 8809094
[2-(2-methylpropylamino)-2-oxoethyl] 2-hydroxy-3,5-di(propan-2-yl)benzoate
CID 2531108
azane;2,4,6-tri(propan-2-yl)phenol
CID 174814858
N-[2-(dimethylamino)-2-oxoethyl]-2,5-dimethylbenzamide
CID 9480533
2-hydroxy-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-3,5-di(propan-2-yl)benzamide
CID 99990665
3-amino-5-bromo-N-[2-(dimethylamino)-2-oxoethyl]-2-methylbenzamide
CID 107872185
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-2,4-dimethylbenzamide
CID 102705008
N-[2-(dimethylamino)-2-oxoethyl]-2,4-difluorobenzamide
CID 9480520

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide (CID 39959722) is N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide is CC(C)c1cc(C(=O)NCC(=O)N(C)C)c(O)c(C(C)C)c1.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide?
The InChIKey is DWBVVELMNJOOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-10(2)12-7-13(11(3)4)16(21)14(8-12)17(22)18-9-15(20)19(5)6/h7-8,10-11,21H,9H2,1-6H3,(H,18,22).
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide?
N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide has a molecular weight of 306.41 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-2-hydroxy-3,5-di(propan-2-yl)benzamide is sourced from PubChem (CID 39959722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).