(2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide

C19H23NO3 — CID 97436317

IUPAC(2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide
SMILESCC(C)(CO)NC(=O)[C@H](Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-19(2,13-21)20-18(23)17(15-6-4-3-5-7-15)12-14-8-10-16(22)11-9-14/h3-11,17,21-22H,12-13H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyWAZFEESZAUDCBD-QGZVFWFLSA-N
MW313.40 g/mol
LogP2.61
Rot. Bonds6

About (2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide

(2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide (PubChem CID 97436317) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide
PubChem CID97436317
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide
SMILESCC(C)(CO)NC(=O)[C@H](Cc1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C19H23NO3/c1-19(2,13-21)20-18(23)17(15-6-4-3-5-7-15)12-14-8-10-16(22)11-9-14/h3-11,17,21-22H,12-13H2,1-2H3,(H,20,23)/t17-/m1/s1
InChIKeyWAZFEESZAUDCBD-QGZVFWFLSA-N
XLogP2.61
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(4-tert-butylphenyl)methyl]-3-(4-hydroxyphenyl)-2-phenylpropanamide
CID 7381172
sodium 3-(4-hydroxyphenyl)-2-phenylpropanoic acid
CID 54612500
2-(carbamoylamino)-N-(1-hydroxy-2-methylpropan-2-yl)-2-phenylacetamide
CID 43500841
2-amino-N-(4-hydroxy-2-methylbutan-2-yl)-3-(4-hydroxyphenyl)propanamide
CID 114350791
(2S)-3-(4-hydroxyphenyl)-2-phenyl-N-(2-piperidin-1-ylethyl)propanamide
CID 97445107
N-benzhydryl-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108508135
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
3-[4-(hydroxymethyl)phenyl]-2-phenylpropanoic acid
CID 82160875
(2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 40563834
3-(4-ethylphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83953187
2-[(2-chloro-2-phenylacetyl)amino]-3-(4-hydroxyphenyl)propanoic acid
CID 70006715
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide?
The IUPAC name of (2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide (CID 97436317) is (2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide?
The canonical SMILES for (2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide is CC(C)(CO)NC(=O)[C@H](Cc1ccc(O)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide?
The InChIKey is WAZFEESZAUDCBD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23NO3/c1-19(2,13-21)20-18(23)17(15-6-4-3-5-7-15)12-14-8-10-16(22)11-9-14/h3-11,17,21-22H,12-13H2,1-2H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide?
(2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide has a molecular weight of 313.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-2-phenylpropanamide is sourced from PubChem (CID 97436317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).