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

C12H18N2O3 — CID 66170580

IUPAC2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNCC(O)CO
InChIInChI=1S/C12H18N2O3/c1-9-4-2-3-5-11(9)14-12(17)7-13-6-10(16)8-15/h2-5,10,13,15-16H,6-8H2,1H3,(H,14,17)
InChIKeyATWBFEFMJNUGIK-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.12
Rot. Bonds6

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

2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide (PubChem CID 66170580) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide
PubChem CID66170580
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide
SMILESCc1ccccc1NC(=O)CNCC(O)CO
InChIInChI=1S/C12H18N2O3/c1-9-4-2-3-5-11(9)14-12(17)7-13-6-10(16)8-15/h2-5,10,13,15-16H,6-8H2,1H3,(H,14,17)
InChIKeyATWBFEFMJNUGIK-UHFFFAOYSA-N
XLogP-0.12
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

2-[(2-hydroxy-2-phenylethyl)amino]-N-(2-methylphenyl)acetamide
CID 43389775
2-(1-hydroxypropan-2-ylamino)-N-(2-methylphenyl)acetamide
CID 43499948
2-(2-bromoprop-2-enylamino)-N-(2-methylphenyl)acetamide
CID 115745529
N-(2,6-difluorophenyl)-2-(2,3-dihydroxypropylamino)acetamide
CID 66170795
4-hydroxy-N-(2-methylphenyl)pentanamide
CID 79017195
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
N-(2,3-dimethylphenyl)-2-(2-methylpropylamino)acetamide
CID 108993242
N-(2-methylphenyl)-2-(2-propan-2-ylanilino)acetamide
CID 42069296
3-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)benzamide
CID 168596635
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
2-[[(2S)-2,3-dihydroxypropyl]amino]-N-propan-2-ylacetamide
CID 61142666
2-[[2-(diethylamino)-2-oxoethyl]amino]-N-(2-methylphenyl)acetamide
CID 115745516

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide?
The IUPAC name of 2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide (CID 66170580) is 2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide is Cc1ccccc1NC(=O)CNCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide?
The InChIKey is ATWBFEFMJNUGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-4-2-3-5-11(9)14-12(17)7-13-6-10(16)8-15/h2-5,10,13,15-16H,6-8H2,1H3,(H,14,17).
What are the key properties of 2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide?
2-(2,3-dihydroxypropylamino)-N-(2-methylphenyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of -0.12, 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-methylphenyl)acetamide is sourced from PubChem (CID 66170580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).