(2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide

C17H20N2O2 — CID 121346611

IUPAC(2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CNCCO1)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-12(19-17(20)16-11-18-9-10-21-16)14-8-4-6-13-5-2-3-7-15(13)14/h2-8,12,16,18H,9-11H2,1H3,(H,19,20)/t12-,16-/m0/s1
InChIKeyMADRBPUIQDETGT-LRDDRELGSA-N
MW284.36 g/mol
LogP2.01
Rot. Bonds3

About (2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide

(2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide (PubChem CID 121346611) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
PubChem CID121346611
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1CNCCO1)c1cccc2ccccc12
InChIInChI=1S/C17H20N2O2/c1-12(19-17(20)16-11-18-9-10-21-16)14-8-4-6-13-5-2-3-7-15(13)14/h2-8,12,16,18H,9-11H2,1H3,(H,19,20)/t12-,16-/m0/s1
InChIKeyMADRBPUIQDETGT-LRDDRELGSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide (CID 121346611) is (2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide is C[C@H](NC(=O)[C@@H]1CNCCO1)c1cccc2ccccc12.
What is the InChIKey of (2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide?
The InChIKey is MADRBPUIQDETGT-LRDDRELGSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(19-17(20)16-11-18-9-10-21-16)14-8-4-6-13-5-2-3-7-15(13)14/h2-8,12,16,18H,9-11H2,1H3,(H,19,20)/t12-,16-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide?
(2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-naphthalen-1-ylethyl]morpholine-2-carboxamide is sourced from PubChem (CID 121346611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).