N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide

C14H19NO3 — CID 110016170

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(O)C2CC2)cc1O
InChIInChI=1S/C14H19NO3/c1-9-3-4-11(7-12(9)16)14(18)15(2)8-13(17)10-5-6-10/h3-4,7,10,13,16-17H,5-6,8H2,1-2H3
InChIKeyUMZBIFIYVSLLDS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.54
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide

N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide (PubChem CID 110016170) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide
PubChem CID110016170
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide
SMILESCc1ccc(C(=O)N(C)CC(O)C2CC2)cc1O
InChIInChI=1S/C14H19NO3/c1-9-3-4-11(7-12(9)16)14(18)15(2)8-13(17)10-5-6-10/h3-4,7,10,13,16-17H,5-6,8H2,1-2H3
InChIKeyUMZBIFIYVSLLDS-UHFFFAOYSA-N
XLogP1.54
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-N,3,5-trimethylbenzamide
CID 97003578
N-(2-chloropropyl)-3-hydroxy-N,4-dimethylbenzamide
CID 63393949
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669
3-hydroxy-N,4-dimethyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]benzamide
CID 103957388
3-hydroxy-N-(3-hydroxybutyl)-N,4-dimethylbenzamide
CID 115993845
N-cyclopropyl-3-hydroxy-4-methyl-N-(3-methylbutyl)benzamide
CID 78974536
3-hydroxy-N,4-dimethyl-N-(oxolan-2-ylmethyl)benzamide
CID 61436266
3-[cyclopropyl-(3-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 54926497
3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
3-hydroxy-N,4-dimethyl-N-(thiolan-3-yl)benzamide
CID 43296951
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-hydroxy-N,4-dimethylbenzamide
CID 61232203
3,4-dihydroxy-N-methyl-N-(2-methylpropyl)benzamide
CID 103956449

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide (CID 110016170) is N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide is Cc1ccc(C(=O)N(C)CC(O)C2CC2)cc1O.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide?
The InChIKey is UMZBIFIYVSLLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-3-4-11(7-12(9)16)14(18)15(2)8-13(17)10-5-6-10/h3-4,7,10,13,16-17H,5-6,8H2,1-2H3.
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide?
N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-3-hydroxy-N,4-dimethylbenzamide is sourced from PubChem (CID 110016170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).