2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide

C14H19N3O3 — CID 115651742

IUPAC2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1ccc(OC)c(C#N)c1
InChIInChI=1S/C14H19N3O3/c1-19-6-5-17-14(18)10-16-9-11-3-4-13(20-2)12(7-11)8-15/h3-4,7,16H,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyVXJFNPXLBIZOJI-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.42
Rot. Bonds8

About 2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide

2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 115651742) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID115651742
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CNCc1ccc(OC)c(C#N)c1
InChIInChI=1S/C14H19N3O3/c1-19-6-5-17-14(18)10-16-9-11-3-4-13(20-2)12(7-11)8-15/h3-4,7,16H,5-6,9-10H2,1-2H3,(H,17,18)
InChIKeyVXJFNPXLBIZOJI-UHFFFAOYSA-N
XLogP0.42
TPSA83.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-cyano-3-methoxyphenyl)methylamino]-N-ethylacetamide
CID 106787110
2-methoxy-5-[[3-(2-methoxyethoxy)propylamino]methyl]benzonitrile
CID 65336445
3-[(3-cyano-4-methoxyphenyl)methylamino]propanamide
CID 65335970
5-[(2-bromoprop-2-enylamino)methyl]-2-methoxybenzonitrile
CID 115653368
N-(2-methoxyethyl)-2-[(4-nitrophenyl)methylamino]acetamide
CID 60691812
2-[(3-bromo-4-methylphenyl)methylamino]-N-(2-methoxyethyl)acetamide
CID 115875961
3-[(3-cyano-4-methoxyphenyl)methylamino]-N,N-dimethylpropanamide
CID 65341239
methyl 2-fluoro-4-[[[2-(2-methoxyethylamino)-2-oxoethyl]amino]methyl]benzoate
CID 106700421
5-[[[4-(hydroxymethyl)phenyl]methylamino]methyl]-2-methoxybenzonitrile
CID 107230018
2-(2,3-dihydro-1H-inden-5-ylmethylamino)-N-(2-methoxyethyl)acetamide
CID 112695615
2-(benzylamino)-N-(2-methoxyethyl)acetamide
CID 54813572
5-[(4-hydroxybutylamino)methyl]-2-methoxybenzonitrile
CID 106840557

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide (CID 115651742) is 2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CNCc1ccc(OC)c(C#N)c1.
What is the InChIKey of 2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is VXJFNPXLBIZOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-6-5-17-14(18)10-16-9-11-3-4-13(20-2)12(7-11)8-15/h3-4,7,16H,5-6,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide?
2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 277.32 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-methoxyphenyl)methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 115651742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).