2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide

C17H22BrN3O3 — CID 86978269

IUPAC2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)COc1cccc(Br)c1
InChIInChI=1S/C17H22BrN3O3/c18-15-3-1-4-16(13-15)24-14-17(22)21(6-2-5-19)8-7-20-9-11-23-12-10-20/h1,3-4,13H,2,6-12,14H2
InChIKeyOFZCBEKKGTZHSP-UHFFFAOYSA-N
MW396.29 g/mol
LogP1.90
Rot. Bonds8

About 2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide

2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide (PubChem CID 86978269) has the molecular formula C17H22BrN3O3 and a molecular weight of 396.29 g/mol. Its IUPAC name is 2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide
PubChem CID86978269
Molecular FormulaC17H22BrN3O3
Molecular Weight396.29 g/mol
Exact Mass395.08
IUPAC Name2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide
SMILESN#CCCN(CCN1CCOCC1)C(=O)COc1cccc(Br)c1
InChIInChI=1S/C17H22BrN3O3/c18-15-3-1-4-16(13-15)24-14-17(22)21(6-2-5-19)8-7-20-9-11-23-12-10-20/h1,3-4,13H,2,6-12,14H2
InChIKeyOFZCBEKKGTZHSP-UHFFFAOYSA-N
XLogP1.90
TPSA65.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-2-naphthalen-2-yloxyacetamide
CID 78799320
2-(3-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 47100694
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-1-ylacetamide
CID 60520082
4-bromo-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide
CID 60954321
2-(3-bromophenoxy)-N,N-dipropylacetamide
CID 112977337
5-chloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)pentanamide
CID 60949224
N,N-bis(2-cyanoethyl)-2-(3-nitrophenoxy)acetamide
CID 32698814
3,5-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520123
2-(3-bromophenoxy)-N,N-diethylacetamide
CID 24689388
2-bromo-N-(2-cyanoethyl)-3-methyl-N-(2-morpholin-4-ylethyl)butanamide
CID 60949087
2,4-dichloro-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)benzamide
CID 60520270

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide?
The IUPAC name of 2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide (CID 86978269) is 2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide?
The canonical SMILES for 2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide is N#CCCN(CCN1CCOCC1)C(=O)COc1cccc(Br)c1.
What is the InChIKey of 2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide?
The InChIKey is OFZCBEKKGTZHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN3O3/c18-15-3-1-4-16(13-15)24-14-17(22)21(6-2-5-19)8-7-20-9-11-23-12-10-20/h1,3-4,13H,2,6-12,14H2.
What are the key properties of 2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide?
2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide has a molecular weight of 396.29 g/mol, XLogP of 1.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenoxy)-N-(2-cyanoethyl)-N-(2-morpholin-4-ylethyl)acetamide is sourced from PubChem (CID 86978269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).