2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide

C11H16N2O4 — CID 69439974

IUPAC2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide
SMILESNc1ccc(CC(=O)NCC(O)CO)cc1O
InChIInChI=1S/C11H16N2O4/c12-9-2-1-7(3-10(9)16)4-11(17)13-5-8(15)6-14/h1-3,8,14-16H,4-6,12H2,(H,13,17)
InChIKeyVHWBAGRGUQCZNR-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.01
Rot. Bonds5

About 2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide

2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide (PubChem CID 69439974) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide
PubChem CID69439974
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide
SMILESNc1ccc(CC(=O)NCC(O)CO)cc1O
InChIInChI=1S/C11H16N2O4/c12-9-2-1-7(3-10(9)16)4-11(17)13-5-8(15)6-14/h1-3,8,14-16H,4-6,12H2,(H,13,17)
InChIKeyVHWBAGRGUQCZNR-UHFFFAOYSA-N
XLogP-1.01
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-3-hydroxyphenyl)-N-(2-hydroxyethyl)acetamide
CID 69305950
N-(2,3-dihydroxypropyl)-2-naphthalen-2-ylacetamide
CID 66175171
2-(4-amino-3-hydroxyphenyl)-N-butylacetamide
CID 69306621
N-(2,3-dihydroxypropyl)-2-(4-methoxyphenyl)acetamide
CID 66177096
2-(4-amino-3-hydroxyphenyl)-N-(3-methoxypropyl)acetamide
CID 69307200
2-(4-amino-3-hydroxyphenyl)-N-(3-hydroxyphenyl)acetamide
CID 69307059
N-(2,3-dihydroxypropyl)-2,3-dihydroxybenzamide
CID 114344939
6-amino-N-(2,3-dihydroxypropyl)-1,3-benzodioxole-5-carboxamide
CID 103543245
3-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-hydroxypropanamide
CID 107261200
(2R)-2-amino-N-(2,3-dihydroxypropyl)-3-(4-hydroxyphenyl)propanamide
CID 104905303
2-(3,4-dimethoxyphenyl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65036986
5-amino-3-N-[(2S)-2,3-dihydroxypropyl]benzene-1,3-dicarboxamide
CID 86337510

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide?
The IUPAC name of 2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide (CID 69439974) is 2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide.
What is the SMILES notation for 2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide?
The canonical SMILES for 2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide is Nc1ccc(CC(=O)NCC(O)CO)cc1O.
What is the InChIKey of 2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide?
The InChIKey is VHWBAGRGUQCZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c12-9-2-1-7(3-10(9)16)4-11(17)13-5-8(15)6-14/h1-3,8,14-16H,4-6,12H2,(H,13,17).
What are the key properties of 2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide?
2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide has a molecular weight of 240.26 g/mol, XLogP of -1.01, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-hydroxyphenyl)-N-(2,3-dihydroxypropyl)acetamide is sourced from PubChem (CID 69439974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).