3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

C18H17N3O2 — CID 122195638

IUPAC3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-13(15-7-3-2-4-8-15)21-17(22)12-20-18(23)16-9-5-6-14(10-16)11-19/h2-10,13H,12H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyOZHKUTHWLVQCQV-ZDUSSCGKSA-N
MW307.35 g/mol
LogP2.17
Rot. Bonds5

About 3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide

3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (PubChem CID 122195638) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
PubChem CID122195638
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESC[C@H](NC(=O)CNC(=O)c1cccc(C#N)c1)c1ccccc1
InChIInChI=1S/C18H17N3O2/c1-13(15-7-3-2-4-8-15)21-17(22)12-20-18(23)16-9-5-6-14(10-16)11-19/h2-10,13H,12H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1
InChIKeyOZHKUTHWLVQCQV-ZDUSSCGKSA-N
XLogP2.17
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The IUPAC name of 3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (CID 122195638) is 3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The canonical SMILES for 3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is C[C@H](NC(=O)CNC(=O)c1cccc(C#N)c1)c1ccccc1.
What is the InChIKey of 3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The InChIKey is OZHKUTHWLVQCQV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13(15-7-3-2-4-8-15)21-17(22)12-20-18(23)16-9-5-6-14(10-16)11-19/h2-10,13H,12H2,1H3,(H,20,23)(H,21,22)/t13-/m0/s1.
What are the key properties of 3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is sourced from PubChem (CID 122195638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).