N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

C18H19N3O2 — CID 2656670

IUPACN-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C18H19N3O2/c1-21(12-14-6-5-8-16(10-14)23-2)13-18(22)20-17-9-4-3-7-15(17)11-19/h3-10H,12-13H2,1-2H3,(H,20,22)
InChIKeyHZZZAJVOABUETC-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.64
Rot. Bonds6

About N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide

N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 2656670) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID2656670
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1cccc(CN(C)CC(=O)Nc2ccccc2C#N)c1
InChIInChI=1S/C18H19N3O2/c1-21(12-14-6-5-8-16(10-14)23-2)13-18(22)20-17-9-4-3-7-15(17)11-19/h3-10H,12-13H2,1-2H3,(H,20,22)
InChIKeyHZZZAJVOABUETC-UHFFFAOYSA-N
XLogP2.64
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2657488
2-[(3-methoxyphenyl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 8794631
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
CID 2657318
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-(2-chloro-3-pyridinyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8556360
N-(2-methoxy-5-methylphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8002693
2-[(3-methoxyphenyl)methyl-methylamino]-N-(4-phenylphenyl)acetamide
CID 8794801
2-[[(3-methoxyphenyl)methyl-methylamino]methyl]benzonitrile
CID 60646313
N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965374
N-(3,5-dichlorophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2698222
N-(4-ethoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8794745
methyl 2-[[3-(2-cyanoanilino)-3-oxopropyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 56526040

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide (CID 2656670) is N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is COc1cccc(CN(C)CC(=O)Nc2ccccc2C#N)c1.
What is the InChIKey of N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is HZZZAJVOABUETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21(12-14-6-5-8-16(10-14)23-2)13-18(22)20-17-9-4-3-7-15(17)11-19/h3-10H,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide?
N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 309.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2656670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).