N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide

C12H19N3O2 — CID 66428503

IUPACN-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide
SMILESN#CCCN(C(=O)CC1CNCCO1)C1CC1
InChIInChI=1S/C12H19N3O2/c13-4-1-6-15(10-2-3-10)12(16)8-11-9-14-5-7-17-11/h10-11,14H,1-3,5-9H2
InChIKeyQSMNJWUMOWBVKG-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.27
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide

N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide (PubChem CID 66428503) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide
PubChem CID66428503
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide
SMILESN#CCCN(C(=O)CC1CNCCO1)C1CC1
InChIInChI=1S/C12H19N3O2/c13-4-1-6-15(10-2-3-10)12(16)8-11-9-14-5-7-17-11/h10-11,14H,1-3,5-9H2
InChIKeyQSMNJWUMOWBVKG-UHFFFAOYSA-N
XLogP0.27
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66433370
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
N-cyclopentyl-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119696960
N,N-diethyl-2-morpholin-2-ylacetamide
CID 66435692
3-morpholin-2-ylpropanenitrile;propanoate
CID 21111896
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide;hydrochloride
CID 119691624
N-methyl-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66434341
2-chloro-N-(2-cyanoethyl)-N-cyclopropylacetamide
CID 61038565
N-cyclopropyl-2-morpholin-2-yl-N-(pyridin-3-ylmethyl)acetamide
CID 66428274
N-benzyl-N-(cyanomethyl)-2-morpholin-2-ylacetamide
CID 66429565
N-butyl-N-methyl-2-morpholin-2-ylacetamide
CID 66433567
N-(cyclohexylmethyl)-N-methyl-2-morpholin-2-ylacetamide;hydrochloride
CID 119704440

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide (CID 66428503) is N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide is N#CCCN(C(=O)CC1CNCCO1)C1CC1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide?
The InChIKey is QSMNJWUMOWBVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-4-1-6-15(10-2-3-10)12(16)8-11-9-14-5-7-17-11/h10-11,14H,1-3,5-9H2.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide?
N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide has a molecular weight of 237.30 g/mol, XLogP of 0.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-2-morpholin-2-ylacetamide is sourced from PubChem (CID 66428503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).