(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate

C26H26N2O4 — CID 151924983

IUPAC(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H26N2O4/c1-19(27-24(29)21-13-7-3-8-14-21)26(31)32-18-23(17-20-11-5-2-6-12-20)28-25(30)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,27,29)(H,28,30)/t19-,23?/m0/s1
InChIKeySXOJFGMXGDJOOS-HSTJUUNISA-N
MW430.50 g/mol
LogP3.39
Rot. Bonds9

About (2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate

(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate (PubChem CID 151924983) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is (2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate.

Molecular Properties

Compound Name(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate
PubChem CID151924983
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate
SMILESC[C@H](NC(=O)c1ccccc1)C(=O)OCC(Cc1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H26N2O4/c1-19(27-24(29)21-13-7-3-8-14-21)26(31)32-18-23(17-20-11-5-2-6-12-20)28-25(30)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,27,29)(H,28,30)/t19-,23?/m0/s1
InChIKeySXOJFGMXGDJOOS-HSTJUUNISA-N
XLogP3.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-2-benzamido-3-phenylpropyl] (2R)-2-[(2-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57393139
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57403592
N-[(2S)-1-phenylbutan-2-yl]benzamide
CID 778631
[(2S)-2-benzamido-3-phenylpropyl] (2S)-2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 57396637
(2-benzamido-3-phenylpropyl) 2-[(3-hydroxybenzoyl)amino]-3-phenylpropanoate
CID 76535138
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 127025927
methyl (2R)-2-[[2-[(2R)-2-benzamidopropanoyl]oxyacetyl]amino]-3-phenylpropanoate
CID 39968914
methyl (2S)-2-benzamidopropanoate
CID 6364617
N-[(2R)-1-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
CID 71442039
propyl 2-benzamidopropanoate
CID 71628004
[(2R)-2-benzamido-3-phenylpropyl] (2S)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 151435592
[(2R)-2-benzamido-3-phenylpropyl] (2S)-2-[(2-bromophenyl)sulfonylamino]-3-phenylpropanoate
CID 150330991

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate?
The IUPAC name of (2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate (CID 151924983) is (2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate.
What is the SMILES notation for (2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate?
The canonical SMILES for (2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate is C[C@H](NC(=O)c1ccccc1)C(=O)OCC(Cc1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of (2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate?
The InChIKey is SXOJFGMXGDJOOS-HSTJUUNISA-N. The full InChI is InChI=1S/C26H26N2O4/c1-19(27-24(29)21-13-7-3-8-14-21)26(31)32-18-23(17-20-11-5-2-6-12-20)28-25(30)22-15-9-4-10-16-22/h2-16,19,23H,17-18H2,1H3,(H,27,29)(H,28,30)/t19-,23?/m0/s1.
What are the key properties of (2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate?
(2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate has a molecular weight of 430.50 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-3-phenylpropyl) (2S)-2-benzamidopropanoate is sourced from PubChem (CID 151924983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).