N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide

C21H25N3O3 — CID 78799320

IUPACN-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C21H25N3O3/c22-8-3-9-24(11-10-23-12-14-26-15-13-23)21(25)17-27-20-7-6-18-4-1-2-5-19(18)16-20/h1-2,4-7,16H,3,9-15,17H2
InChIKeyIWZULBJYSQRPNV-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.29
Rot. Bonds8

About N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide

N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide (PubChem CID 78799320) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
PubChem CID78799320
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C21H25N3O3/c22-8-3-9-24(11-10-23-12-14-26-15-13-23)21(25)17-27-20-7-6-18-4-1-2-5-19(18)16-20/h1-2,4-7,16H,3,9-15,17H2
InChIKeyIWZULBJYSQRPNV-UHFFFAOYSA-N
XLogP2.29
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 86978269
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylacetamide
CID 60520082
N-(2-cyanoethyl)-2-(2,6-dichlorophenyl)-N-(2-morpholin-4-ylethyl)acetamide
CID 78799313
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 60949224
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 43997630
3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520123
N,N-bis(2-methoxyethyl)-2-naphthalen-2-yloxyacetamide
CID 78763769
2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520270
N,N-bis(2-cyanoethyl)-2-(3-nitrophenoxy)acetamide
CID 32698814
4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol
CID 86763298
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 78799349
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-4-nitrobenzamide
CID 78799293

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide (CID 78799320) is N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide is N#CCCN(CCN1CCOCC1)C(=O)COc1ccc2ccccc2c1.
What is the InChIKey of N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is IWZULBJYSQRPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-8-3-9-24(11-10-23-12-14-26-15-13-23)21(25)17-27-20-7-6-18-4-1-2-5-19(18)16-20/h1-2,4-7,16H,3,9-15,17H2.
What are the key properties of N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide?
N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 367.45 g/mol, XLogP of 2.29, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 78799320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).