2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide

C18H22N2O3 — CID 168597571

IUPAC2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccccc2NCC(O)CO)c1
InChIInChI=1S/C18H22N2O3/c1-13-5-4-6-14(9-13)10-20-18(23)16-7-2-3-8-17(16)19-11-15(22)12-21/h2-9,15,19,21-22H,10-12H2,1H3,(H,20,23)
InChIKeySOXUBUFVWJXRAT-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.69
Rot. Bonds7

About 2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide

2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide (PubChem CID 168597571) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide
PubChem CID168597571
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide
SMILESCc1cccc(CNC(=O)c2ccccc2NCC(O)CO)c1
InChIInChI=1S/C18H22N2O3/c1-13-5-4-6-14(9-13)10-20-18(23)16-7-2-3-8-17(16)19-11-15(22)12-21/h2-9,15,19,21-22H,10-12H2,1H3,(H,20,23)
InChIKeySOXUBUFVWJXRAT-UHFFFAOYSA-N
XLogP1.69
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methylphenyl)methyl]-2-(propan-2-ylamino)benzamide
CID 63107843
2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide
CID 168596784
2,3-dihydroxy-N-[(3-methylphenyl)methyl]benzamide
CID 114343999
N-[(3-methylphenyl)methyl]-2-methylsulfonylbenzamide
CID 34166968
2-[(2-cyanoacetyl)amino]-N-[(3-methylphenyl)methyl]benzamide
CID 168520890
2-fluoro-3-methyl-N-[(3-methylphenyl)methyl]benzamide
CID 80718612
2-(3-hydroxyprop-1-ynyl)-N-[(3-methylphenyl)methyl]benzamide
CID 60903217
N-benzyl-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 9105774
3-[2-(3-methylphenyl)anilino]propane-1,2-diol
CID 168593271
2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-[(3-methylphenyl)methyl]benzamide
CID 168560757
(3R)-N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 95119935
N-[2-[(3-methylphenyl)methylcarbamoyl]phenyl]pyrrolidine-3-carboxamide
CID 50949083

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide (CID 168597571) is 2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide is Cc1cccc(CNC(=O)c2ccccc2NCC(O)CO)c1.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide?
The InChIKey is SOXUBUFVWJXRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-13-5-4-6-14(9-13)10-20-18(23)16-7-2-3-8-17(16)19-11-15(22)12-21/h2-9,15,19,21-22H,10-12H2,1H3,(H,20,23).
What are the key properties of 2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide?
2-(2,3-dihydroxypropylamino)-N-[(3-methylphenyl)methyl]benzamide has a molecular weight of 314.38 g/mol, XLogP of 1.69, 7 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-[(3-methylphenyl)methyl]benzamide is sourced from PubChem (CID 168597571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).