N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide

C11H16N2O3 — CID 170829554

IUPACN-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O3/c1-7(14)13-6-10(15)11(16)8-2-4-9(12)5-3-8/h2-5,10-11,15-16H,6,12H2,1H3,(H,13,14)
InChIKeyBHPYWBKJMUWVQW-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.20
Rot. Bonds4

About N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide

N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide (PubChem CID 170829554) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
PubChem CID170829554
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC NameN-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide
SMILESCC(=O)NCC(O)C(O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O3/c1-7(14)13-6-10(15)11(16)8-2-4-9(12)5-3-8/h2-5,10-11,15-16H,6,12H2,1H3,(H,13,14)
InChIKeyBHPYWBKJMUWVQW-UHFFFAOYSA-N
XLogP-0.20
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-chlorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170829480
N-[2-(4-aminophenyl)-2-hydroxyethyl]acetamide
CID 43461402
N-[3-[4-(hydrazinecarbonyl)phenyl]-2,3-dihydroxypropyl]acetamide
CID 170830453
4-(3-acetamido-1,2-dihydroxypropyl)benzoic acid
CID 170829918
[4-(3-acetamido-1,2-dihydroxypropyl)phenyl] acetate
CID 170831378
N-[3-(3-acetyl-4-aminophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830543
N-[3-(4-benzylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170831226
N-[3-(4-amino-3-methoxyphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830189
ethyl 2-[4-(3-acetamido-1,2-dihydroxypropyl)phenyl]acetate
CID 170830919
1-(4-aminophenyl)-3-(methylamino)propane-1,2-diol
CID 171857462
N-[3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3-dihydroxypropyl]acetamide
CID 170829578
N-[2,3-dihydroxy-3-(6-methyl-3-pyridinyl)propyl]acetamide
CID 170829544

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide?
The IUPAC name of N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide (CID 170829554) is N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide.
What is the SMILES notation for N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide?
The canonical SMILES for N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide is CC(=O)NCC(O)C(O)c1ccc(N)cc1.
What is the InChIKey of N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide?
The InChIKey is BHPYWBKJMUWVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(14)13-6-10(15)11(16)8-2-4-9(12)5-3-8/h2-5,10-11,15-16H,6,12H2,1H3,(H,13,14).
What are the key properties of N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide?
N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide has a molecular weight of 224.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminophenyl)-2,3-dihydroxypropyl]acetamide is sourced from PubChem (CID 170829554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).