(2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one

C22H25NO3 — CID 101105014

IUPAC(2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one
SMILESC=C(C[C@H](OCc1ccccc1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H25NO3/c1-18(20-10-6-3-7-11-20)16-21(22(24)23-12-14-25-15-13-23)26-17-19-8-4-2-5-9-19/h2-11,21H,1,12-17H2/t21-/m0/s1
InChIKeyPGFLODFFUKPRHB-NRFANRHFSA-N
MW351.45 g/mol
LogP3.53
Rot. Bonds7

About (2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one

(2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one (PubChem CID 101105014) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is (2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one.

Molecular Properties

Compound Name(2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one
PubChem CID101105014
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name(2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one
SMILESC=C(C[C@H](OCc1ccccc1)C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C22H25NO3/c1-18(20-10-6-3-7-11-20)16-21(22(24)23-12-14-25-15-13-23)26-17-19-8-4-2-5-9-19/h2-11,21H,1,12-17H2/t21-/m0/s1
InChIKeyPGFLODFFUKPRHB-NRFANRHFSA-N
XLogP3.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one?
The IUPAC name of (2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one (CID 101105014) is (2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one.
What is the SMILES notation for (2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one?
The canonical SMILES for (2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one is C=C(C[C@H](OCc1ccccc1)C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of (2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one?
The InChIKey is PGFLODFFUKPRHB-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25NO3/c1-18(20-10-6-3-7-11-20)16-21(22(24)23-12-14-25-15-13-23)26-17-19-8-4-2-5-9-19/h2-11,21H,1,12-17H2/t21-/m0/s1.
What are the key properties of (2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one?
(2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one has a molecular weight of 351.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-morpholin-4-yl-4-phenyl-2-phenylmethoxypent-4-en-1-one is sourced from PubChem (CID 101105014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).