(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide

C16H18N2O3 — CID 104905420

IUPAC(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESCc1cc(NC(=O)[C@H](N)Cc2ccc(O)cc2)ccc1O
InChIInChI=1S/C16H18N2O3/c1-10-8-12(4-7-15(10)20)18-16(21)14(17)9-11-2-5-13(19)6-3-11/h2-8,14,19-20H,9,17H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyHRVHJQZDZXAPBC-CQSZACIVSA-N
MW286.33 g/mol
LogP1.91
Rot. Bonds4

About (2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide (PubChem CID 104905420) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
PubChem CID104905420
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
SMILESCc1cc(NC(=O)[C@H](N)Cc2ccc(O)cc2)ccc1O
InChIInChI=1S/C16H18N2O3/c1-10-8-12(4-7-15(10)20)18-16(21)14(17)9-11-2-5-13(19)6-3-11/h2-8,14,19-20H,9,17H2,1H3,(H,18,21)/t14-/m1/s1
InChIKeyHRVHJQZDZXAPBC-CQSZACIVSA-N
XLogP1.91
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904585
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
(2R)-2-amino-3-(4-hydroxyphenyl)-N-(4-methylsulfanylphenyl)propanamide
CID 104904568
2-amino-N-(4-chloro-3-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76887225
[4-[(2S)-2-amino-3-(3,4-dimethylanilino)-3-oxopropyl]phenyl]boronic acid
CID 169082273
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide
CID 104904818
(2R)-2-amino-N-(3-hydroxy-6-methyl-2-pyridinyl)-3-(4-hydroxyphenyl)propanamide
CID 104905499
(2R)-2-amino-N-(4-fluoro-3-methylphenyl)-3-phenylpropanamide
CID 78917568
(2S)-2-amino-N-(4-bromo-3-methylphenyl)-3-phenylpropanamide
CID 22691303
2-amino-3-(4-hydroxy-3-methylphenyl)propanamide
CID 90701123
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-nitrophenyl)propanamide
CID 22847699

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide (CID 104905420) is (2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide is Cc1cc(NC(=O)[C@H](N)Cc2ccc(O)cc2)ccc1O.
What is the InChIKey of (2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
The InChIKey is HRVHJQZDZXAPBC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-8-12(4-7-15(10)20)18-16(21)14(17)9-11-2-5-13(19)6-3-11/h2-8,14,19-20H,9,17H2,1H3,(H,18,21)/t14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide has a molecular weight of 286.33 g/mol, XLogP of 1.91, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104905420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).