2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide

C19H27N3O3 — CID 66824872

IUPAC2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide
SMILESN#CCC(=O)NCCCCc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C19H27N3O3/c20-9-8-19(23)21-10-2-1-3-17-4-6-18(7-5-17)25-16-13-22-11-14-24-15-12-22/h4-7H,1-3,8,10-16H2,(H,21,23)
InChIKeyJTCUNYYIGQNJNW-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.75
Rot. Bonds10

About 2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide

2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide (PubChem CID 66824872) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide
PubChem CID66824872
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide
SMILESN#CCC(=O)NCCCCc1ccc(OCCN2CCOCC2)cc1
InChIInChI=1S/C19H27N3O3/c20-9-8-19(23)21-10-2-1-3-17-4-6-18(7-5-17)25-16-13-22-11-14-24-15-12-22/h4-7H,1-3,8,10-16H2,(H,21,23)
InChIKeyJTCUNYYIGQNJNW-UHFFFAOYSA-N
XLogP1.75
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-N-[2-(4-morpholin-4-ylbutylamino)-2-oxoethyl]benzamide
CID 55848187
4-(2-morpholin-4-ylethoxy)benzamide
CID 35813066
2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide
CID 171785848
2-cyano-N-[2-[4-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22684436
2-[4-(3-morpholin-4-ylpropoxy)phenyl]acetic acid
CID 22241707
2-(4-bromophenoxy)-N-(2-morpholin-4-ylethyl)acetamide
CID 888119
2-bromo-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanone;hydrochloride
CID 87674715
2-cyano-N-[3-[[2-(4-ethoxyphenyl)acetyl]amino]propyl]acetamide
CID 108924311
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
4-oxo-4-[2-[4-(2-piperidin-1-ylethoxy)phenyl]ethylamino]butanoic acid
CID 20986229
3-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 110441108

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide?
The IUPAC name of 2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide (CID 66824872) is 2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide.
What is the SMILES notation for 2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide?
The canonical SMILES for 2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide is N#CCC(=O)NCCCCc1ccc(OCCN2CCOCC2)cc1.
What is the InChIKey of 2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide?
The InChIKey is JTCUNYYIGQNJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c20-9-8-19(23)21-10-2-1-3-17-4-6-18(7-5-17)25-16-13-22-11-14-24-15-12-22/h4-7H,1-3,8,10-16H2,(H,21,23).
What are the key properties of 2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide?
2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide is sourced from PubChem (CID 66824872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).