3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide

C17H20N2O3 — CID 168596635

IUPAC3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(NCC(O)CO)c1
InChIInChI=1S/C17H20N2O3/c1-12-5-2-3-8-16(12)19-17(22)13-6-4-7-14(9-13)18-10-15(21)11-20/h2-9,15,18,20-21H,10-11H2,1H3,(H,19,22)
InChIKeyWCANFXDVGORTCE-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.01
Rot. Bonds6

About 3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide

3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide (PubChem CID 168596635) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide.

Molecular Properties

Compound Name3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide
PubChem CID168596635
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide
SMILESCc1ccccc1NC(=O)c1cccc(NCC(O)CO)c1
InChIInChI=1S/C17H20N2O3/c1-12-5-2-3-8-16(12)19-17(22)13-6-4-7-14(9-13)18-10-15(21)11-20/h2-9,15,18,20-21H,10-11H2,1H3,(H,19,22)
InChIKeyWCANFXDVGORTCE-UHFFFAOYSA-N
XLogP2.01
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide 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

3-[(3-chloro-2-hydroxypropyl)amino]-N-(2-methylphenyl)benzamide
CID 168638216
N-(2,6-diethylphenyl)-3-(2,3-dihydroxypropylamino)benzamide
CID 168594455
3-(2,3-dihydroxypropylamino)-N-pyridin-3-ylbenzamide
CID 168597603
3-formamido-N-(2-methylphenyl)benzamide
CID 168653763
5-[[3-(2,3-dihydroxypropylamino)benzoyl]amino]-2-hydroxybenzoic acid
CID 168595086
3-[(3-chloro-2-hydroxypropyl)amino]-N-(4-methylphenyl)benzamide
CID 168638185
4-[3-[(2-methylphenyl)carbamoyl]anilino]-4-oxobutanoate
CID 5106256
3-N-(2,3-dimethylphenyl)-1-N-(2-methylphenyl)benzene-1,3-dicarboxamide
CID 109056848
3-[3-(2-methylphenyl)anilino]propane-1,2-diol
CID 168596529
3-(3-methylanilino)propane-1,2-diol
CID 3016394
2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide
CID 66170580
2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide
CID 168596784

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide?
The IUPAC name of 3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide (CID 168596635) is 3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide.
What is the SMILES notation for 3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide?
The canonical SMILES for 3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide is Cc1ccccc1NC(=O)c1cccc(NCC(O)CO)c1.
What is the InChIKey of 3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide?
The InChIKey is WCANFXDVGORTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12-5-2-3-8-16(12)19-17(22)13-6-4-7-14(9-13)18-10-15(21)11-20/h2-9,15,18,20-21H,10-11H2,1H3,(H,19,22).
What are the key properties of 3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide?
3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide has a molecular weight of 300.36 g/mol, XLogP of 2.01, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide is sourced from PubChem (CID 168596635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).