N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide

C16H21NO2 — CID 103865605

IUPACN-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCC(C1CC1)C1CC1
InChIInChI=1S/C16H21NO2/c1-10-8-13(18)6-7-14(10)16(19)17-9-15(11-2-3-11)12-4-5-12/h6-8,11-12,15,18H,2-5,9H2,1H3,(H,17,19)
InChIKeyDKKNCIIUVWKNSU-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.87
Rot. Bonds5

About N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide

N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide (PubChem CID 103865605) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide
PubChem CID103865605
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)NCC(C1CC1)C1CC1
InChIInChI=1S/C16H21NO2/c1-10-8-13(18)6-7-14(10)16(19)17-9-15(11-2-3-11)12-4-5-12/h6-8,11-12,15,18H,2-5,9H2,1H3,(H,17,19)
InChIKeyDKKNCIIUVWKNSU-UHFFFAOYSA-N
XLogP2.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dicyclopropylethyl)-2,4-dihydroxybenzamide
CID 103714393
N-(2,2-dicyclopropylethyl)-2,5-dihydroxybenzamide
CID 107723246
4-hydroxy-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107091867
4-hydroxy-N-(4-hydroxy-2-methylbutyl)-2-methylbenzamide
CID 103867092
N-(2,2-dicyclopropylethyl)-2-fluoro-3-methylbenzamide
CID 80712461
N-(1-cyclopropylpropan-2-yl)-4-hydroxy-2-methylbenzamide
CID 113341412
N-(2-cyclopentylethyl)-4-hydroxy-2-methylbenzamide
CID 103865170
4-hydroxy-2-methyl-N-(3-methyl-2-oxobutyl)benzamide
CID 104860755
5-bromo-N-(2,2-dicyclopropylethyl)-2-hydroxybenzamide
CID 103711996
N-(2-amino-2-cyclopropylethyl)-4-bromo-2-methylbenzamide
CID 113282155
N-(1-cyclopropylbutan-2-yl)-4-hydroxy-2-methylbenzamide
CID 103865517
4-hydroxy-N-[(4-hydroxyphenyl)methyl]-2-methylbenzamide
CID 103867255

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide?
The IUPAC name of N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide (CID 103865605) is N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide is Cc1cc(O)ccc1C(=O)NCC(C1CC1)C1CC1.
What is the InChIKey of N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide?
The InChIKey is DKKNCIIUVWKNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-10-8-13(18)6-7-14(10)16(19)17-9-15(11-2-3-11)12-4-5-12/h6-8,11-12,15,18H,2-5,9H2,1H3,(H,17,19).
What are the key properties of N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide?
N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide has a molecular weight of 259.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dicyclopropylethyl)-4-hydroxy-2-methylbenzamide is sourced from PubChem (CID 103865605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).