N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide

C12H18N2O3 — CID 168593503

IUPACN-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1NCC(O)CO
InChIInChI=1S/C12H18N2O3/c1-8-3-4-11(14-9(2)16)12(5-8)13-6-10(17)7-15/h3-5,10,13,15,17H,6-7H2,1-2H3,(H,14,16)
InChIKeyVIXDCLIUTQTBPP-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.72
Rot. Bonds5

About N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide

N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide (PubChem CID 168593503) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide
PubChem CID168593503
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1NCC(O)CO
InChIInChI=1S/C12H18N2O3/c1-8-3-4-11(14-9(2)16)12(5-8)13-6-10(17)7-15/h3-5,10,13,15,17H,6-7H2,1-2H3,(H,14,16)
InChIKeyVIXDCLIUTQTBPP-UHFFFAOYSA-N
XLogP0.72
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide 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

N-[2-[(3-chloro-2-hydroxypropyl)amino]-4-methylphenyl]acetamide
CID 168636852
N-[2-(2,3-dihydroxypropylamino)phenyl]acetamide
CID 168596792
2-(2,3-dihydroxypropylamino)-N-(2,5-dimethylphenyl)benzamide
CID 168596784
3-[5-methyl-2-(trifluoromethyl)anilino]propane-1,2-diol
CID 168593240
1-[4-(2,3-dihydroxypropylamino)-3-methoxyphenyl]ethanone
CID 168597111
1-[3-tert-butyl-4-(2,3-dihydroxypropylamino)phenyl]ethanone
CID 168597514
2-chloro-6-(2,3-dihydroxypropylamino)-N-(2,4-dimethylphenyl)benzenesulfonamide
CID 168593929
N-(2-ethyl-4-methylphenyl)acetamide
CID 89198969
3-(3-methylanilino)propane-1,2-diol
CID 3016394
N-(2-acetamido-5-methylphenyl)-3-aminopropanamide
CID 82034596
N-[3-[(3-chloro-2-hydroxypropyl)amino]-2,6-dimethylphenyl]acetamide
CID 168638082
1-[4-bromo-3-(2,3-dihydroxypropylamino)phenyl]ethanone
CID 168594040

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide?
The IUPAC name of N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide (CID 168593503) is N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide.
What is the SMILES notation for N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide?
The canonical SMILES for N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1NCC(O)CO.
What is the InChIKey of N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide?
The InChIKey is VIXDCLIUTQTBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-3-4-11(14-9(2)16)12(5-8)13-6-10(17)7-15/h3-5,10,13,15,17H,6-7H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide?
N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.72, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydroxypropylamino)-4-methylphenyl]acetamide is sourced from PubChem (CID 168593503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).