2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide

C16H23N3O2 — CID 22687978

IUPAC2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
SMILESCCN(CC)CCOc1cccc(CNC(=O)CC#N)c1
InChIInChI=1S/C16H23N3O2/c1-3-19(4-2)10-11-21-15-7-5-6-14(12-15)13-18-16(20)8-9-17/h5-7,12H,3-4,8,10-11,13H2,1-2H3,(H,18,20)
InChIKeyXSRQVQZGZGATFN-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.94
Rot. Bonds9

About 2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide

2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide (PubChem CID 22687978) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
PubChem CID22687978
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide
SMILESCCN(CC)CCOc1cccc(CNC(=O)CC#N)c1
InChIInChI=1S/C16H23N3O2/c1-3-19(4-2)10-11-21-15-7-5-6-14(12-15)13-18-16(20)8-9-17/h5-7,12H,3-4,8,10-11,13H2,1-2H3,(H,18,20)
InChIKeyXSRQVQZGZGATFN-UHFFFAOYSA-N
XLogP1.94
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
2-cyano-N-[[3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20993463
2-cyano-N-[[3-[2-(2,5-dimethylphenoxy)ethoxy]phenyl]methyl]acetamide
CID 20984627
2-cyano-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]acetamide
CID 20984569
2-(dipropylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 87016214
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
2-ethoxy-N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]ethanamine
CID 63692328
2-cyano-N-[[4-(2-phenoxyethoxy)phenyl]methyl]acetamide
CID 20992997
N-ethyl-N-[2-[3-(ethylaminomethyl)phenoxy]ethyl]-2-methylprop-2-en-1-amine
CID 62418026
2-cyano-N-[2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]ethyl]acetamide
CID 22684620
[3-[2-(dimethylamino)ethoxy]phenyl]methylurea
CID 91413450
3-[2-(diethylamino)ethoxy]benzonitrile
CID 22683313

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide (CID 22687978) is 2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide is CCN(CC)CCOc1cccc(CNC(=O)CC#N)c1.
What is the InChIKey of 2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide?
The InChIKey is XSRQVQZGZGATFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-19(4-2)10-11-21-15-7-5-6-14(12-15)13-18-16(20)8-9-17/h5-7,12H,3-4,8,10-11,13H2,1-2H3,(H,18,20).
What are the key properties of 2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide?
2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[3-[2-(diethylamino)ethoxy]phenyl]methyl]acetamide is sourced from PubChem (CID 22687978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).