2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide

C10H14N2O3 — CID 175163451

IUPAC2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide
SMILESNCC(=O)Nc1cccc(CC(O)O)c1
InChIInChI=1S/C10H14N2O3/c11-6-9(13)12-8-3-1-2-7(4-8)5-10(14)15/h1-4,10,14-15H,5-6,11H2,(H,12,13)
InChIKeyQWISFJIKZYMCHE-UHFFFAOYSA-N
MW210.23 g/mol
LogP-0.56
Rot. Bonds4

About 2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide

2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide (PubChem CID 175163451) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide
PubChem CID175163451
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide
SMILESNCC(=O)Nc1cccc(CC(O)O)c1
InChIInChI=1S/C10H14N2O3/c11-6-9(13)12-8-3-1-2-7(4-8)5-10(14)15/h1-4,10,14-15H,5-6,11H2,(H,12,13)
InChIKeyQWISFJIKZYMCHE-UHFFFAOYSA-N
XLogP-0.56
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide
CID 119333864
2-amino-N-[3-[(dimethylamino)methyl]phenyl]acetamide;dihydrochloride
CID 119853176
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033
N-[3-(aminomethyl)phenyl]-2-methylsulfanylacetamide
CID 63254431
2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride
CID 119333538
N-[[3-[(2-aminoacetyl)amino]phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 119294226
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119306238
2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]acetamide;hydrochloride
CID 119329252
N-[3-[(2-aminoacetyl)amino]phenyl]cyclopropanecarboxamide
CID 61251263
4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
(2R)-3-(3-acetamidophenyl)-2-aminopropanoic acid
CID 135331594

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide?
The IUPAC name of 2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide (CID 175163451) is 2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide?
The canonical SMILES for 2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide is NCC(=O)Nc1cccc(CC(O)O)c1.
What is the InChIKey of 2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide?
The InChIKey is QWISFJIKZYMCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c11-6-9(13)12-8-3-1-2-7(4-8)5-10(14)15/h1-4,10,14-15H,5-6,11H2,(H,12,13).
What are the key properties of 2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide?
2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide has a molecular weight of 210.23 g/mol, XLogP of -0.56, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,2-dihydroxyethyl)phenyl]acetamide is sourced from PubChem (CID 175163451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).