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

C18H20N2O3 — CID 28918445

IUPAC3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)20-17(21)12-19-18(22)15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyASAANGCWEOJNQY-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.30
Rot. Bonds6

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

3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (PubChem CID 28918445) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
PubChem CID28918445
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCC(=O)N[C@@H](C)c2ccccc2)c1
InChIInChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)20-17(21)12-19-18(22)15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1
InChIKeyASAANGCWEOJNQY-ZDUSSCGKSA-N
XLogP2.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The IUPAC name of 3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide (CID 28918445) is 3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is COc1cccc(C(=O)NCC(=O)N[C@@H](C)c2ccccc2)c1.
What is the InChIKey of 3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
The InChIKey is ASAANGCWEOJNQY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-13(14-7-4-3-5-8-14)20-17(21)12-19-18(22)15-9-6-10-16(11-15)23-2/h3-11,13H,12H2,1-2H3,(H,19,22)(H,20,21)/t13-/m0/s1.
What are the key properties of 3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide?
3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide has a molecular weight of 312.37 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]benzamide is sourced from PubChem (CID 28918445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).