N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide

C17H23N3O4 — CID 142238893

IUPACN-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide
SMILESO=C[C@H](CCc1ccccc1)NC(=O)CNC(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-13-15(7-6-14-4-2-1-3-5-14)19-16(22)12-18-17(23)20-8-10-24-11-9-20/h1-5,13,15H,6-12H2,(H,18,23)(H,19,22)/t15-/m0/s1
InChIKeyBNXFYLCUQILVQS-HNNXBMFYSA-N
MW333.39 g/mol
LogP0.34
Rot. Bonds7

About N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide

N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide (PubChem CID 142238893) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide
PubChem CID142238893
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC NameN-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide
SMILESO=C[C@H](CCc1ccccc1)NC(=O)CNC(=O)N1CCOCC1
InChIInChI=1S/C17H23N3O4/c21-13-15(7-6-14-4-2-1-3-5-14)19-16(22)12-18-17(23)20-8-10-24-11-9-20/h1-5,13,15H,6-12H2,(H,18,23)(H,19,22)/t15-/m0/s1
InChIKeyBNXFYLCUQILVQS-HNNXBMFYSA-N
XLogP0.34
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide (CID 142238893) is N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide is O=C[C@H](CCc1ccccc1)NC(=O)CNC(=O)N1CCOCC1.
What is the InChIKey of N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide?
The InChIKey is BNXFYLCUQILVQS-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O4/c21-13-15(7-6-14-4-2-1-3-5-14)19-16(22)12-18-17(23)20-8-10-24-11-9-20/h1-5,13,15H,6-12H2,(H,18,23)(H,19,22)/t15-/m0/s1.
What are the key properties of N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide?
N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 0.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[(2S)-1-oxo-4-phenylbutan-2-yl]amino]ethyl]morpholine-4-carboxamide is sourced from PubChem (CID 142238893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).