2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide

C15H21N3O3 — CID 20984632

IUPAC2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC#N)c1OCCN(C)C
InChIInChI=1S/C15H21N3O3/c1-18(2)9-10-21-15-12(5-4-6-13(15)20-3)11-17-14(19)7-8-16/h4-6H,7,9-11H2,1-3H3,(H,17,19)
InChIKeyPXKDSUDOKLAIPN-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.17
Rot. Bonds8

About 2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide

2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide (PubChem CID 20984632) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
PubChem CID20984632
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide
SMILESCOc1cccc(CNC(=O)CC#N)c1OCCN(C)C
InChIInChI=1S/C15H21N3O3/c1-18(2)9-10-21-15-12(5-4-6-13(15)20-3)11-17-14(19)7-8-16/h4-6H,7,9-11H2,1-3H3,(H,17,19)
InChIKeyPXKDSUDOKLAIPN-UHFFFAOYSA-N
XLogP1.17
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[[3-methoxy-2-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]acetamide
CID 22685929
2-cyano-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]acetamide
CID 20992900
2-cyano-N-[2-(3-methoxy-2-propoxyphenyl)ethyl]acetamide
CID 22686324
2-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]ethanol
CID 39289555
[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methanol
CID 43471611
2-cyano-N-[2-[2-[2-(2-ethoxyphenoxy)ethoxy]-3-methoxyphenyl]ethyl]acetamide
CID 20984771
2-cyano-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 20993633
N-[2-[2-[2-(2-chlorophenoxy)ethoxy]-3-methoxyphenyl]ethyl]-2-cyanoacetamide
CID 22686054
2-cyano-N-[[4-[3-(dimethylamino)propoxy]-3-methoxyphenyl]methyl]acetamide
CID 22683884
3-[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866694
N-[[3-methoxy-2-(2-methoxyethoxy)phenyl]methyl]ethanamine
CID 43471950
2-cyano-N-[(2,4-dimethoxy-3-methylphenyl)methyl]acetamide
CID 115173101

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide (CID 20984632) is 2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide is COc1cccc(CNC(=O)CC#N)c1OCCN(C)C.
What is the InChIKey of 2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide?
The InChIKey is PXKDSUDOKLAIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(2)9-10-21-15-12(5-4-6-13(15)20-3)11-17-14(19)7-8-16/h4-6H,7,9-11H2,1-3H3,(H,17,19).
What are the key properties of 2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide?
2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[2-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]acetamide is sourced from PubChem (CID 20984632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).