2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide

C15H21N3O2 — CID 62778905

IUPAC2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(CC#N)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-18(12-15(19)17-10-11-20-2)14(8-9-16)13-6-4-3-5-7-13/h3-7,14H,8,10-12H2,1-2H3,(H,17,19)
InChIKeyCVICLUXMABHEQC-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.34
Rot. Bonds8

About 2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide

2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 62778905) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID62778905
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)C(CC#N)c1ccccc1
InChIInChI=1S/C15H21N3O2/c1-18(12-15(19)17-10-11-20-2)14(8-9-16)13-6-4-3-5-7-13/h3-7,14H,8,10-12H2,1-2H3,(H,17,19)
InChIKeyCVICLUXMABHEQC-UHFFFAOYSA-N
XLogP1.34
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-methoxyethyl(methyl)amino]-3-phenylpropanenitrile
CID 62778735
N-(2-methoxyethyl)-3,3-diphenylpropanamide
CID 2263132
N-(2-methoxyethyl)-2-[methylsulfonyl(1-phenylethyl)amino]acetamide
CID 113150811
1-[2-(dimethylamino)-2-phenylethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941058
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-(methylamino)benzamide
CID 61377669
(2R)-2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 61163818
2-[1-hydroxypropan-2-yl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 115877350
N-(2-methoxyethyl)-2-[methyl(3-oxobutan-2-yl)amino]acetamide
CID 60680902
3-[(2-chloro-2-phenylacetyl)amino]-N-(2-methoxyethyl)propanamide
CID 115649428
N-(2-methoxyethyl)-2-(1-phenylpropylamino)acetamide
CID 54845797
3-amino-N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-methyl-3-phenylpropanamide
CID 115738057
1-benzhydryl-3-(2-methoxyethyl)urea
CID 108867401

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide (CID 62778905) is 2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)C(CC#N)c1ccccc1.
What is the InChIKey of 2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is CVICLUXMABHEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18(12-15(19)17-10-11-20-2)14(8-9-16)13-6-4-3-5-7-13/h3-7,14H,8,10-12H2,1-2H3,(H,17,19).
What are the key properties of 2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 275.35 g/mol, XLogP of 1.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-1-phenylethyl)-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 62778905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).