N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide

C10H17N3O2 — CID 657480

IUPACN-(2-cyanoethyl)-3-morpholin-4-ylpropanamide
SMILESN#CCCNC(=O)CCN1CCOCC1
InChIInChI=1S/C10H17N3O2/c11-3-1-4-12-10(14)2-5-13-6-8-15-9-7-13/h1-2,4-9H2,(H,12,14)
InChIKeyNUWGYUWFQXBXLV-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.26
Rot. Bonds5

About N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide

N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide (PubChem CID 657480) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-morpholin-4-ylpropanamide
PubChem CID657480
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-(2-cyanoethyl)-3-morpholin-4-ylpropanamide
SMILESN#CCCNC(=O)CCN1CCOCC1
InChIInChI=1S/C10H17N3O2/c11-3-1-4-12-10(14)2-5-13-6-8-15-9-7-13/h1-2,4-9H2,(H,12,14)
InChIKeyNUWGYUWFQXBXLV-UHFFFAOYSA-N
XLogP-0.26
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.26
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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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide (CID 657480) is N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide is N#CCCNC(=O)CCN1CCOCC1.
What is the InChIKey of N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide?
The InChIKey is NUWGYUWFQXBXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c11-3-1-4-12-10(14)2-5-13-6-8-15-9-7-13/h1-2,4-9H2,(H,12,14).
What are the key properties of N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide?
N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide has a molecular weight of 211.26 g/mol, XLogP of -0.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 657480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).