N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide

C14H17N3O2 — CID 79155764

IUPACN-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide
SMILESN#CCCN(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H17N3O2/c15-7-4-8-17(13-5-2-1-3-6-13)14(18)16-9-11-19-12-10-16/h1-3,5-6H,4,8-12H2
InChIKeyHEMVIVZFJSVLRU-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.86
Rot. Bonds3

About N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide

N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide (PubChem CID 79155764) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide
PubChem CID79155764
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide
SMILESN#CCCN(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H17N3O2/c15-7-4-8-17(13-5-2-1-3-6-13)14(18)16-9-11-19-12-10-16/h1-3,5-6H,4,8-12H2
InChIKeyHEMVIVZFJSVLRU-UHFFFAOYSA-N
XLogP1.86
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 79159548
N-(2-cyanoethyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-4-oxo-N-phenylbutanamide
CID 56577984
N-(2-cyanoethyl)-2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-phenylpropanamide
CID 55439455
N-[[4-[2-(hydroxyamino)-2-oxoethyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 144741604
3-amino-N-(2-cyanoethyl)-N-phenyloxolane-3-carboxamide
CID 64891096
N-(2-cyanoethyl)-2-[2-(morpholin-4-ylmethyl)quinazolin-4-yl]sulfanyl-N-phenylacetamide
CID 16579470
2-chloro-N-(2-cyanoethyl)-N-phenylacetamide
CID 2404872
1-(2-cyanoethyl)-3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylthiourea
CID 23936637
2-bromo-N-(2-cyanoethyl)-N-phenylpropanamide
CID 107902898
N-(2-cyanoethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide
CID 110881384
N-(2-cyanoethyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 8704113
N-(2-cyanoethyl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 78789242

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide (CID 79155764) is N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide is N#CCCN(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide?
The InChIKey is HEMVIVZFJSVLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c15-7-4-8-17(13-5-2-1-3-6-13)14(18)16-9-11-19-12-10-16/h1-3,5-6H,4,8-12H2.
What are the key properties of N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide?
N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-phenylmorpholine-4-carboxamide is sourced from PubChem (CID 79155764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).