4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide

C14H17N3O2 — CID 102817134

IUPAC4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cccc(C#N)c1
InChIInChI=1S/C14H17N3O2/c1-2-16-14(18)13-10-19-7-6-17(13)12-5-3-4-11(8-12)9-15/h3-5,8,13H,2,6-7,10H2,1H3,(H,16,18)
InChIKeyOXVSPPLHXXFRFJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.90
Rot. Bonds3

About 4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide

4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide (PubChem CID 102817134) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
PubChem CID102817134
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
SMILESCCNC(=O)C1COCCN1c1cccc(C#N)c1
InChIInChI=1S/C14H17N3O2/c1-2-16-14(18)13-10-19-7-6-17(13)12-5-3-4-11(8-12)9-15/h3-5,8,13H,2,6-7,10H2,1H3,(H,16,18)
InChIKeyOXVSPPLHXXFRFJ-UHFFFAOYSA-N
XLogP0.90
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyano-5-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 102817135
4-(2-amino-3-cyanophenyl)-N-ethylmorpholine-3-carboxamide
CID 104717013
4-(4-cyano-2,3-difluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 107934083
4-(4-cyanopyridazin-3-yl)-N-ethylmorpholine-3-carboxamide
CID 83097290
4-[(3-cyanophenyl)methyl]-N-propylmorpholine-3-carboxamide
CID 83097683
4-(4-cyano-3-pyridinyl)-N-ethylmorpholine-3-carboxamide
CID 83098897
4-(2-amino-3-fluorophenyl)-N-ethylmorpholine-3-carboxamide
CID 83106693
N-ethyl-4-[5-(methylamino)-3-pyridinyl]morpholine-3-carboxamide
CID 104535674
3-amino-2-[3-(ethylcarbamoyl)morpholin-4-yl]benzoic acid
CID 115935490
4-[2-chloro-4-(methylaminomethyl)phenyl]-N-ethylmorpholine-3-carboxamide
CID 83103969
4-(2-carbamothioyl-6-methylphenyl)-N-ethylmorpholine-3-carboxamide
CID 107108513
N-ethyl-4-[4-fluoro-2-(methylaminomethyl)phenyl]morpholine-3-carboxamide
CID 83103963

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide?
The IUPAC name of 4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide (CID 102817134) is 4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide is CCNC(=O)C1COCCN1c1cccc(C#N)c1.
What is the InChIKey of 4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide?
The InChIKey is OXVSPPLHXXFRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-16-14(18)13-10-19-7-6-17(13)12-5-3-4-11(8-12)9-15/h3-5,8,13H,2,6-7,10H2,1H3,(H,16,18).
What are the key properties of 4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide?
4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-N-ethylmorpholine-3-carboxamide is sourced from PubChem (CID 102817134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).