(2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide

C20H24N2O3 — CID 155138038

IUPAC(2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide
SMILESCN[C@@H](Cc1ccccc1)C(=O)N[C@@](C=O)(CO)Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-21-18(12-16-8-4-2-5-9-16)19(25)22-20(14-23,15-24)13-17-10-6-3-7-11-17/h2-11,14,18,21,24H,12-13,15H2,1H3,(H,22,25)/t18-,20-/m0/s1
InChIKeyRWNKTADVNYARBE-ICSRJNTNSA-N
MW340.42 g/mol
LogP1.11
Rot. Bonds9

About (2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide

(2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide (PubChem CID 155138038) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide
PubChem CID155138038
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide
SMILESCN[C@@H](Cc1ccccc1)C(=O)N[C@@](C=O)(CO)Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-21-18(12-16-8-4-2-5-9-16)19(25)22-20(14-23,15-24)13-17-10-6-3-7-11-17/h2-11,14,18,21,24H,12-13,15H2,1H3,(H,22,25)/t18-,20-/m0/s1
InChIKeyRWNKTADVNYARBE-ICSRJNTNSA-N
XLogP1.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 6951135
(2R)-N-ethyl-2-(methylamino)-3-phenylpropanamide
CID 10608375
(3R)-3-(methylamino)-4-phenylbutan-2-one
CID 59965984
(2S)-2-(methylamino)-N-[2-(methylamino)ethyl]-3-phenylpropanamide
CID 100959272
(2S)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methylamino)-3-phenylpropanamide
CID 70540620
2-formamido-N-methyl-3-phenylpropanamide
CID 14245854
2-(methylamino)-N-[6-(methylamino)hexyl]-3-phenylpropanamide
CID 172626022
methanamine;(3S)-3-(methylamino)-2-oxo-4-phenylbutanoic acid
CID 163483257
2-[[2-(methylamino)-3-phenylpropanoyl]amino]butanamide
CID 174410015
2-[[2-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]acetyl]amino]acetic acid
CID 70669722
(2S)-2-aminopropanoic acid;(2S)-2-(methylamino)-3-phenylpropanoic acid
CID 67559512
(2S)-2-[[(2S)-2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-3-(4-phenylphenyl)propanoic acid
CID 175824879

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide?
The IUPAC name of (2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide (CID 155138038) is (2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide?
The canonical SMILES for (2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide is CN[C@@H](Cc1ccccc1)C(=O)N[C@@](C=O)(CO)Cc1ccccc1.
What is the InChIKey of (2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide?
The InChIKey is RWNKTADVNYARBE-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-21-18(12-16-8-4-2-5-9-16)19(25)22-20(14-23,15-24)13-17-10-6-3-7-11-17/h2-11,14,18,21,24H,12-13,15H2,1H3,(H,22,25)/t18-,20-/m0/s1.
What are the key properties of (2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide?
(2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide has a molecular weight of 340.42 g/mol, XLogP of 1.11, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2R)-2-benzyl-1-hydroxy-3-oxopropan-2-yl]-2-(methylamino)-3-phenylpropanamide is sourced from PubChem (CID 155138038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).