N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide

C15H19N3O2 — CID 36735412

IUPACN-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide
SMILESN#CCCNC(=O)CN1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C15H19N3O2/c16-7-4-8-17-15(19)12-18-9-10-20-14(11-18)13-5-2-1-3-6-13/h1-3,5-6,14H,4,8-12H2,(H,17,19)/t14-/m1/s1
InChIKeyPBEATINQWQMHIN-CQSZACIVSA-N
MW273.34 g/mol
LogP1.09
Rot. Bonds5

About N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide

N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide (PubChem CID 36735412) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide
PubChem CID36735412
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide
SMILESN#CCCNC(=O)CN1CCO[C@@H](c2ccccc2)C1
InChIInChI=1S/C15H19N3O2/c16-7-4-8-17-15(19)12-18-9-10-20-14(11-18)13-5-2-1-3-6-13/h1-3,5-6,14H,4,8-12H2,(H,17,19)/t14-/m1/s1
InChIKeyPBEATINQWQMHIN-CQSZACIVSA-N
XLogP1.09
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-2-phenylmorpholin-4-yl]-N-prop-2-enylacetamide
CID 36732674
2-[[2-[(2S)-2-phenylmorpholin-4-yl]acetyl]amino]thiophene-3-carboxamide
CID 36732639
2-[[2-(2-phenylmorpholin-4-yl)acetyl]amino]thiophene-3-carboxamide
CID 71942816
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(2-fluorophenyl)methyl]acetamide
CID 60504824
2-phenoxy-N-[3-[(2R)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 27557858
4-cyano-N-[3-(2-phenylmorpholin-4-yl)propyl]benzamide
CID 16892547
3-(2-phenylmorpholin-4-yl)propanoic acid
CID 119134654
2-naphthalen-1-yl-N-[3-[(2S)-2-phenylmorpholin-4-yl]propyl]acetamide
CID 51571886
2-[2-(4-chlorophenyl)morpholin-4-yl]-N-[(5-chlorothiophen-2-yl)methyl]acetamide
CID 87018501
2-chloro-N-[2-[(2S)-2-phenylmorpholin-4-yl]ethyl]benzamide
CID 51866428
2-(4-chlorophenoxy)-N-[2-[(2R)-2-phenylmorpholin-4-yl]ethyl]acetamide
CID 30851045
N-[(3-chlorophenyl)methyl]-2-[2-(4-chlorophenyl)morpholin-4-yl]acetamide
CID 55827928

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide?
The IUPAC name of N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide (CID 36735412) is N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide?
The canonical SMILES for N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide is N#CCCNC(=O)CN1CCO[C@@H](c2ccccc2)C1.
What is the InChIKey of N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide?
The InChIKey is PBEATINQWQMHIN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-7-4-8-17-15(19)12-18-9-10-20-14(11-18)13-5-2-1-3-6-13/h1-3,5-6,14H,4,8-12H2,(H,17,19)/t14-/m1/s1.
What are the key properties of N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide?
N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-[(2S)-2-phenylmorpholin-4-yl]acetamide is sourced from PubChem (CID 36735412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).