(E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide

C12H16N2O3 — CID 22034679

IUPAC(E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
SMILESCC(CO)NC(=O)/C=C/c1cc(N)ccc1O
InChIInChI=1S/C12H16N2O3/c1-8(7-15)14-12(17)5-2-9-6-10(13)3-4-11(9)16/h2-6,8,15-16H,7,13H2,1H3,(H,14,17)/b5-2+
InChIKeyPMOLUPVSKAELCH-GORDUTHDSA-N
MW236.27 g/mol
LogP0.48
Rot. Bonds4

About (E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide

(E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide (PubChem CID 22034679) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
PubChem CID22034679
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
SMILESCC(CO)NC(=O)/C=C/c1cc(N)ccc1O
InChIInChI=1S/C12H16N2O3/c1-8(7-15)14-12(17)5-2-9-6-10(13)3-4-11(9)16/h2-6,8,15-16H,7,13H2,1H3,(H,14,17)/b5-2+
InChIKeyPMOLUPVSKAELCH-GORDUTHDSA-N
XLogP0.48
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide 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

(E)-3-(2,5-diaminophenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide;hydrochloride
CID 23431721
(E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxybutan-2-yl)prop-2-enamide
CID 22034692
2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanamide;hydrochloride
CID 22034703
2-[[(E)-3-(5-amino-2-hydroxyphenyl)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 22034667
(E)-3-(4-aminophenyl)-N-[(2R)-1-hydroxypropan-2-yl]prop-2-enamide
CID 107218565
(E)-3-(5-amino-2-hydroxyphenyl)-N-(4-aminophenyl)prop-2-enamide
CID 12067437
N-[(2S)-1-hydroxypropan-2-yl]-3-phenylprop-2-enamide
CID 79023633
(E)-N-(1-hydroxypropan-2-yl)-3-phenylprop-2-enamide
CID 6434086
N-[(2R)-1-hydroxypropan-2-yl]-3-(3-methylthiophen-2-yl)prop-2-enamide
CID 79027874
(E)-3-(4-aminophenyl)-N-[1-(dimethylamino)propan-2-yl]prop-2-enamide
CID 82944929
(E)-3-[2-(difluoromethoxy)phenyl]-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857424
(E)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 78857442

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The IUPAC name of (E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide (CID 22034679) is (E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide is CC(CO)NC(=O)/C=C/c1cc(N)ccc1O.
What is the InChIKey of (E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
The InChIKey is PMOLUPVSKAELCH-GORDUTHDSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(7-15)14-12(17)5-2-9-6-10(13)3-4-11(9)16/h2-6,8,15-16H,7,13H2,1H3,(H,14,17)/b5-2+.
What are the key properties of (E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide?
(E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide has a molecular weight of 236.27 g/mol, XLogP of 0.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-amino-2-hydroxyphenyl)-N-(1-hydroxypropan-2-yl)prop-2-enamide is sourced from PubChem (CID 22034679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).