2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide

C18H25N3O4 — CID 30532507

IUPAC2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H25N3O4/c1-2-24-17-12-15(13-19)4-5-16(17)25-14-18(22)20-6-3-7-21-8-10-23-11-9-21/h4-5,12H,2-3,6-11,14H2,1H3,(H,20,22)
InChIKeyUZZGEALFDCGOLS-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.17
Rot. Bonds9

About 2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide

2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 30532507) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID30532507
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCCOc1cc(C#N)ccc1OCC(=O)NCCCN1CCOCC1
InChIInChI=1S/C18H25N3O4/c1-2-24-17-12-15(13-19)4-5-16(17)25-14-18(22)20-6-3-7-21-8-10-23-11-9-21/h4-5,12H,2-3,6-11,14H2,1H3,(H,20,22)
InChIKeyUZZGEALFDCGOLS-UHFFFAOYSA-N
XLogP1.17
TPSA83.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-cyano-2-ethoxyphenoxy)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 46522155
2-(4-cyano-2-ethoxyphenoxy)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 30885469
2-(2-bromo-4-methylphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 5146954
2-(2-hydroxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide
CID 78784092
4-methoxy-3-(3-morpholin-4-ylpropoxy)benzonitrile
CID 10356088
4-[[[2-(4-cyano-2-ethoxyphenoxy)acetyl]amino]methyl]benzoic acid
CID 45304579
3-chloro-4-ethoxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 100744644
2-(4-cyano-2-ethoxyphenoxy)-N-cyclopentylacetamide
CID 7993285
2-(4-cyano-2-ethoxyphenoxy)-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 32627711
2-(4-cyano-2-ethoxyphenoxy)-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 86925041
2-(4-cyano-2-ethoxyphenoxy)-N-(2-morpholin-4-yl-1,3-benzothiazol-6-yl)acetamide
CID 46643922
2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]-N-(3-morpholin-4-ylpropyl)acetamide
CID 4130735

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide (CID 30532507) is 2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide is CCOc1cc(C#N)ccc1OCC(=O)NCCCN1CCOCC1.
What is the InChIKey of 2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is UZZGEALFDCGOLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-2-24-17-12-15(13-19)4-5-16(17)25-14-18(22)20-6-3-7-21-8-10-23-11-9-21/h4-5,12H,2-3,6-11,14H2,1H3,(H,20,22).
What are the key properties of 2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 347.42 g/mol, XLogP of 1.17, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2-ethoxyphenoxy)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 30532507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).