N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide

C21H25N3O2 — CID 60520082

IUPACN-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H25N3O2/c22-9-4-10-24(12-11-23-13-15-26-16-14-23)21(25)17-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-8H,4,10-17H2
InChIKeyNHZUAFULOMWFGT-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.46
Rot. Bonds7

About N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide

N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide (PubChem CID 60520082) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide
PubChem CID60520082
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)Cc1cccc2ccccc12
InChIInChI=1S/C21H25N3O2/c22-9-4-10-24(12-11-23-13-15-26-16-14-23)21(25)17-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-8H,4,10-17H2
InChIKeyNHZUAFULOMWFGT-UHFFFAOYSA-N
XLogP2.46
TPSA56.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78799313
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 78799320
N-(2-morpholin-4-ylethyl)-N-(naphthalen-1-ylmethyl)morpholine-4-carboxamide
CID 3807765
2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 86978269
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 60949224
3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile
CID 54788097
3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520123
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
CID 78799295
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)thiophene-2-carboxamide
CID 134014764
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
CID 78799293
2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520270
N,N-bis(2-hydroxyethyl)-2-naphthalen-1-ylacetamide
CID 60653051

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide (CID 60520082) is N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide is N#CCCN(CCN1CCOCC1)C(=O)Cc1cccc2ccccc12.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide?
The InChIKey is NHZUAFULOMWFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-9-4-10-24(12-11-23-13-15-26-16-14-23)21(25)17-19-7-3-6-18-5-1-2-8-20(18)19/h1-3,5-8H,4,10-17H2.
What are the key properties of N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide?
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide has a molecular weight of 351.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 60520082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).