2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide

C19H21NO3 — CID 110886651

IUPAC2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide
SMILESCc1ccc(C)c(C(=O)c2ccccc2C(=O)NCC(C)O)c1
InChIInChI=1S/C19H21NO3/c1-12-8-9-13(2)17(10-12)18(22)15-6-4-5-7-16(15)19(23)20-11-14(3)21/h4-10,14,21H,11H2,1-3H3,(H,20,23)
InChIKeyYRURVMBRQIKKIJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.65
Rot. Bonds5

About 2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide

2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide (PubChem CID 110886651) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide.

Molecular Properties

Compound Name2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide
PubChem CID110886651
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide
SMILESCc1ccc(C)c(C(=O)c2ccccc2C(=O)NCC(C)O)c1
InChIInChI=1S/C19H21NO3/c1-12-8-9-13(2)17(10-12)18(22)15-6-4-5-7-16(15)19(23)20-11-14(3)21/h4-10,14,21H,11H2,1-3H3,(H,20,23)
InChIKeyYRURVMBRQIKKIJ-UHFFFAOYSA-N
XLogP2.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethylbenzoyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829826
2-(2,5-dimethylbenzoyl)-N-[2-(methanesulfonamido)ethyl]benzamide
CID 39975858
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
2-hydroxy-N-(2-hydroxypropyl)-3,5-dimethylbenzamide
CID 109400562
N'-(2-bromobenzoyl)-2-(2,5-dimethylbenzoyl)benzohydrazide
CID 2439814
N-[2-(2-hydroxypropylamino)ethyl]-2-methylbenzamide
CID 113430408
5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 82009424
2-fluoro-N-(2-hydroxypropyl)benzamide
CID 43391205
2-amino-N-(2-hydroxypropyl)benzamide
CID 12562298
N-[(2S)-2-hydroxypropyl]-2-methyl-5-methylsulfonylbenzamide
CID 83029859
[2-oxo-2-(propan-2-ylamino)ethyl] 2-(2,5-dimethylbenzoyl)benzoate
CID 7444568
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide?
The IUPAC name of 2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide (CID 110886651) is 2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide.
What is the SMILES notation for 2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide?
The canonical SMILES for 2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide is Cc1ccc(C)c(C(=O)c2ccccc2C(=O)NCC(C)O)c1.
What is the InChIKey of 2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide?
The InChIKey is YRURVMBRQIKKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-8-9-13(2)17(10-12)18(22)15-6-4-5-7-16(15)19(23)20-11-14(3)21/h4-10,14,21H,11H2,1-3H3,(H,20,23).
What are the key properties of 2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide?
2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide has a molecular weight of 311.38 g/mol, XLogP of 2.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide is sourced from PubChem (CID 110886651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).