N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide

C19H21N3O3 — CID 2657488

IUPACN-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccccc2C#N)cc1OC
InChIInChI=1S/C19H21N3O3/c1-22(12-14-8-9-17(24-2)18(10-14)25-3)13-19(23)21-16-7-5-4-6-15(16)11-20/h4-10H,12-13H2,1-3H3,(H,21,23)
InChIKeyQRPOCURSKYUZSI-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.65
Rot. Bonds7

About N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide

N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 2657488) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
PubChem CID2657488
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccccc2C#N)cc1OC
InChIInChI=1S/C19H21N3O3/c1-22(12-14-8-9-17(24-2)18(10-14)25-3)13-19(23)21-16-7-5-4-6-15(16)11-20/h4-10H,12-13H2,1-3H3,(H,21,23)
InChIKeyQRPOCURSKYUZSI-UHFFFAOYSA-N
XLogP2.65
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656670
N-(2-chlorophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2698878
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-naphthalen-1-ylacetamide
CID 16555072
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
CID 2657318
2-[[2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2657576
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxy-5-methylphenyl)acetamide
CID 9058407
2-[(4-cyano-3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 106788019
N-(2-cyanophenyl)-2-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8721004
2-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 40712202
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 18085894
N-(2-cyanophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]acetamide
CID 8965374
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 2698922

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide (CID 2657488) is N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(=O)Nc2ccccc2C#N)cc1OC.
What is the InChIKey of N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is QRPOCURSKYUZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-22(12-14-8-9-17(24-2)18(10-14)25-3)13-19(23)21-16-7-5-4-6-15(16)11-20/h4-10H,12-13H2,1-3H3,(H,21,23).
What are the key properties of N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2657488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).