propan-2-yl (2S)-2-benzamido-3-phenylpropanoate

C19H21NO3 — CID 10892308

IUPACpropan-2-yl (2S)-2-benzamido-3-phenylpropanoate
SMILESCC(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-14(2)23-19(22)17(13-15-9-5-3-6-10-15)20-18(21)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyAAFDQBOHBUTNOP-KRWDZBQOSA-N
MW311.38 g/mol
LogP2.98
Rot. Bonds6

About propan-2-yl (2S)-2-benzamido-3-phenylpropanoate

propan-2-yl (2S)-2-benzamido-3-phenylpropanoate (PubChem CID 10892308) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is propan-2-yl (2S)-2-benzamido-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl (2S)-2-benzamido-3-phenylpropanoate
PubChem CID10892308
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namepropan-2-yl (2S)-2-benzamido-3-phenylpropanoate
SMILESCC(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C19H21NO3/c1-14(2)23-19(22)17(13-15-9-5-3-6-10-15)20-18(21)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyAAFDQBOHBUTNOP-KRWDZBQOSA-N
XLogP2.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Dapt
CID 5311272
Methyl hippurate
CID 14566
Npc171139
CID 9832120
Ethyl Hippurate
CID 226558
Asperphenamate
CID 173952
Benzoyl-L-phenylalanine
CID 97370
Aurantiamide Acetate
CID 10026486
l-Phenylalanine-, N-(p-toluoyl)-, methyl ester
CID 531438
2-benzamidoethyl Benzoate
CID 5131781
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
N-(Tetrahydro-2-oxo-3-furanyl)benzamide
CID 97839
N-alpha-Benzoyl-L-arginine ethyl ester hydrochloride
CID 2723604

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2S)-2-benzamido-3-phenylpropanoate?
The IUPAC name of propan-2-yl (2S)-2-benzamido-3-phenylpropanoate (CID 10892308) is propan-2-yl (2S)-2-benzamido-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl (2S)-2-benzamido-3-phenylpropanoate?
The canonical SMILES for propan-2-yl (2S)-2-benzamido-3-phenylpropanoate is CC(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of propan-2-yl (2S)-2-benzamido-3-phenylpropanoate?
The InChIKey is AAFDQBOHBUTNOP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(2)23-19(22)17(13-15-9-5-3-6-10-15)20-18(21)16-11-7-4-8-12-16/h3-12,14,17H,13H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of propan-2-yl (2S)-2-benzamido-3-phenylpropanoate?
propan-2-yl (2S)-2-benzamido-3-phenylpropanoate has a molecular weight of 311.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2S)-2-benzamido-3-phenylpropanoate is sourced from PubChem (CID 10892308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).