5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide

C20H24N2O3 — CID 99826524

IUPAC5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide
SMILESCC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)[C@H](O)Cc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-13-9-10-17(22-15(3)23)12-18(13)20(25)21-14(2)19(24)11-16-7-5-4-6-8-16/h4-10,12,14,19,24H,11H2,1-3H3,(H,21,25)(H,22,23)/t14-,19-/m1/s1
InChIKeyLONHAFBJEDMENR-AUUYWEPGSA-N
MW340.42 g/mol
LogP2.68
Rot. Bonds6

About 5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide

5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide (PubChem CID 99826524) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide
PubChem CID99826524
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide
SMILESCC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)[C@H](O)Cc2ccccc2)c1
InChIInChI=1S/C20H24N2O3/c1-13-9-10-17(22-15(3)23)12-18(13)20(25)21-14(2)19(24)11-16-7-5-4-6-8-16/h4-10,12,14,19,24H,11H2,1-3H3,(H,21,25)(H,22,23)/t14-,19-/m1/s1
InChIKeyLONHAFBJEDMENR-AUUYWEPGSA-N
XLogP2.68
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide?
The IUPAC name of 5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide (CID 99826524) is 5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide.
What is the SMILES notation for 5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide?
The canonical SMILES for 5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide is CC(=O)Nc1ccc(C)c(C(=O)N[C@H](C)[C@H](O)Cc2ccccc2)c1.
What is the InChIKey of 5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide?
The InChIKey is LONHAFBJEDMENR-AUUYWEPGSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-13-9-10-17(22-15(3)23)12-18(13)20(25)21-14(2)19(24)11-16-7-5-4-6-8-16/h4-10,12,14,19,24H,11H2,1-3H3,(H,21,25)(H,22,23)/t14-,19-/m1/s1.
What are the key properties of 5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide?
5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide has a molecular weight of 340.42 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-[(2R,3R)-3-hydroxy-4-phenylbutan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 99826524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).