2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide

C18H22N2O3 — CID 168596784

IUPAC2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccccc2NCC(O)CO)c1
InChIInChI=1S/C18H22N2O3/c1-12-7-8-13(2)17(9-12)20-18(23)15-5-3-4-6-16(15)19-10-14(22)11-21/h3-9,14,19,21-22H,10-11H2,1-2H3,(H,20,23)
InChIKeyHDCRIRDWUGSFMG-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.32
Rot. Bonds6

About 2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide

2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide (PubChem CID 168596784) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide
PubChem CID168596784
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide
SMILESCc1ccc(C)c(NC(=O)c2ccccc2NCC(O)CO)c1
InChIInChI=1S/C18H22N2O3/c1-12-7-8-13(2)17(9-12)20-18(23)15-5-3-4-6-16(15)19-10-14(22)11-21/h3-9,14,19,21-22H,10-11H2,1-2H3,(H,20,23)
InChIKeyHDCRIRDWUGSFMG-UHFFFAOYSA-N
XLogP2.32
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide
CID 168597571
N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide
CID 168593503
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
N-(2,5-dimethylphenyl)-2-(2-phenylethyl)benzamide
CID 19167579
[2-[(2,5-dimethylphenyl)carbamoyl]phenyl] acetate
CID 3361206
N-(2,5-dimethylphenyl)-2-propoxybenzamide
CID 4947833
N-cyclopropyl-2-[[2-(2,5-dimethylanilino)acetyl]amino]benzamide
CID 17498144
N-(2,5-dimethylphenyl)-2-(2-phenylethoxy)benzamide
CID 19628089
3-[2-(N-anilino-C-methylcarbonimidoyl)anilino]propane-1,2-diol
CID 168594170
2-(2-amino-2-oxoethoxy)-N-(2,5-dimethylphenyl)benzamide
CID 34795428
2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105938

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide (CID 168596784) is 2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide is Cc1ccc(C)c(NC(=O)c2ccccc2NCC(O)CO)c1.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide?
The InChIKey is HDCRIRDWUGSFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-7-8-13(2)17(9-12)20-18(23)15-5-3-4-6-16(15)19-10-14(22)11-21/h3-9,14,19,21-22H,10-11H2,1-2H3,(H,20,23).
What are the key properties of 2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide?
2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.32, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide is sourced from PubChem (CID 168596784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).