(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide

C16H18N2O3 — CID 104904818

IUPAC(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C16H18N2O3/c17-15(9-11-4-6-14(20)7-5-11)16(21)18-13-3-1-2-12(8-13)10-19/h1-8,15,19-20H,9-10,17H2,(H,18,21)/t15-/m1/s1
InChIKeyMJAGFLYENBYDDP-OAHLLOKOSA-N
MW286.33 g/mol
LogP1.39
Rot. Bonds5

About (2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide

(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 104904818) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID104904818
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide
SMILESN[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C16H18N2O3/c17-15(9-11-4-6-14(20)7-5-11)16(21)18-13-3-1-2-12(8-13)10-19/h1-8,15,19-20H,9-10,17H2,(H,18,21)/t15-/m1/s1
InChIKeyMJAGFLYENBYDDP-OAHLLOKOSA-N
XLogP1.39
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(3-ethynylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 61148013
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]pentanamide
CID 107568565
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
(2R)-2-amino-N-(3,4-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 104904585
2-amino-N-(3,5-difluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891970
(2R)-2-amino-N-(4-hydroxy-3-methylphenyl)-3-(4-hydroxyphenyl)propanamide
CID 104905420
2-amino-3-(4-hydroxyphenyl)-N-pyridin-3-ylpropanamide
CID 76892449
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-amino-N-(3-iodophenyl)-3-phenylpropanamide
CID 43124635
(2S)-2-amino-N-(3-fluorophenyl)-3-phenylpropanamide
CID 22691298
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
(2S)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-methylbutanamide
CID 61179301

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide (CID 104904818) is (2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide is N[C@H](Cc1ccc(O)cc1)C(=O)Nc1cccc(CO)c1.
What is the InChIKey of (2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is MJAGFLYENBYDDP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-15(9-11-4-6-14(20)7-5-11)16(21)18-13-3-1-2-12(8-13)10-19/h1-8,15,19-20H,9-10,17H2,(H,18,21)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide?
(2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 286.33 g/mol, XLogP of 1.39, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[3-(hydroxymethyl)phenyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 104904818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).