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

C20H25N3O4 — CID 2698858

IUPACN-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)NC(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-23(13-16-9-10-17(26-2)18(11-16)27-3)14-19(24)22-20(25)21-12-15-7-5-4-6-8-15/h4-11H,12-14H2,1-3H3,(H2,21,22,24,25)
InChIKeyUYJLOZASJNETHQ-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.16
Rot. Bonds8

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

N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide (PubChem CID 2698858) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
PubChem CID2698858
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)NC(=O)NCc2ccccc2)cc1OC
InChIInChI=1S/C20H25N3O4/c1-23(13-16-9-10-17(26-2)18(11-16)27-3)14-19(24)22-20(25)21-12-15-7-5-4-6-8-15/h4-11H,12-14H2,1-3H3,(H2,21,22,24,25)
InChIKeyUYJLOZASJNETHQ-UHFFFAOYSA-N
XLogP2.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide (CID 2698858) is N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(=O)NC(=O)NCc2ccccc2)cc1OC.
What is the InChIKey of N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is UYJLOZASJNETHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-23(13-16-9-10-17(26-2)18(11-16)27-3)14-19(24)22-20(25)21-12-15-7-5-4-6-8-15/h4-11H,12-14H2,1-3H3,(H2,21,22,24,25).
What are the key properties of N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide?
N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.16, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[(3,4-dimethoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 2698858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).