N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide

C15H21NO2 — CID 90499259

IUPACN-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(O)C2CC2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-10-4-7-13(11(2)8-10)14(17)16-9-15(3,18)12-5-6-12/h4,7-8,12,18H,5-6,9H2,1-3H3,(H,16,17)
InChIKeySUHOCYGHZOZNNV-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.19
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide

N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide (PubChem CID 90499259) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
PubChem CID90499259
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(O)C2CC2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-10-4-7-13(11(2)8-10)14(17)16-9-15(3,18)12-5-6-12/h4,7-8,12,18H,5-6,9H2,1-3H3,(H,16,17)
InChIKeySUHOCYGHZOZNNV-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2,4-dimethylbenzamide
CID 70955109
N-(2-cyclopropyl-2-hydroxypropyl)-N'-(2,5-dimethylphenyl)oxamide
CID 90499435
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2,5-dimethylfuran-3-carboxamide
CID 52907034
N-(2-hydroxy-2,3-dimethylpentyl)-2,4-dimethylbenzamide
CID 111446501
5-bromo-2-chloro-N-(2-cyclopropyl-2-hydroxypropyl)benzamide
CID 90499338
N-(2-cyclopropyl-2-hydroxypropyl)-2-methylsulfanylbenzamide
CID 52992742
N-(2,3-dihydroxy-2-methylpropyl)-2,5-dimethylbenzamide
CID 66168188
2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
N-(2-cyclopropyl-2-hydroxypropyl)furan-2-carboxamide
CID 52992722
N'-(4-cyclohexylbutanoyl)-2,4-dimethylbenzohydrazide
CID 9275952
N-[(2-bromocyclohexyl)methyl]-2,4-dimethylbenzamide
CID 113275114

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide (CID 90499259) is N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCC(C)(O)C2CC2)c(C)c1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide?
The InChIKey is SUHOCYGHZOZNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-4-7-13(11(2)8-10)14(17)16-9-15(3,18)12-5-6-12/h4,7-8,12,18H,5-6,9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide?
N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxypropyl)-2,4-dimethylbenzamide is sourced from PubChem (CID 90499259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).