2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide

C18H25N3O3 — CID 171785848

IUPAC2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide
SMILESCC[C@@H]1COCCN1CCOc1ccc(CNC(=O)CC#N)cc1
InChIInChI=1S/C18H25N3O3/c1-2-16-14-23-11-9-21(16)10-12-24-17-5-3-15(4-6-17)13-20-18(22)7-8-19/h3-6,16H,2,7,9-14H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyHLUXLHWCHPFAQB-MRXNPFEDSA-N
MW331.42 g/mol
LogP1.71
Rot. Bonds8

About 2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide

2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide (PubChem CID 171785848) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide
PubChem CID171785848
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide
SMILESCC[C@@H]1COCCN1CCOc1ccc(CNC(=O)CC#N)cc1
InChIInChI=1S/C18H25N3O3/c1-2-16-14-23-11-9-21(16)10-12-24-17-5-3-15(4-6-17)13-20-18(22)7-8-19/h3-6,16H,2,7,9-14H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyHLUXLHWCHPFAQB-MRXNPFEDSA-N
XLogP1.71
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[2-(3-ethylmorpholin-4-yl)ethoxy]phenyl]acetonitrile
CID 43613148
2-cyano-N-[(4-ethoxyphenyl)methyl]acetamide
CID 20991624
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
2-[2-(3-ethylmorpholin-4-yl)ethoxy]benzonitrile
CID 43613135
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
N-[[4-[2-(4-chlorophenoxy)ethoxy]phenyl]methyl]-2-cyanoacetamide
CID 20985280
N-[[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]methyl]ethanamine
CID 83101803
2-cyano-N-[4-[4-(2-morpholin-4-ylethoxy)phenyl]butyl]acetamide
CID 66824872
2-cyano-N-[[4-(2-phenylethoxy)phenyl]methyl]acetamide
CID 22682756
2-cyano-N-[[4-[2-(3-methyl-4-propan-2-ylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 22687439
1-[4-[2-(4-methoxyphenoxy)ethyl]morpholin-3-yl]-N-methylmethanamine
CID 83100712
N-(4-cyanophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43613167

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide (CID 171785848) is 2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide is CC[C@@H]1COCCN1CCOc1ccc(CNC(=O)CC#N)cc1.
What is the InChIKey of 2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide?
The InChIKey is HLUXLHWCHPFAQB-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-2-16-14-23-11-9-21(16)10-12-24-17-5-3-15(4-6-17)13-20-18(22)7-8-19/h3-6,16H,2,7,9-14H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide?
2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[4-[2-[(3R)-3-ethylmorpholin-4-yl]ethoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 171785848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).