N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide

C18H19N3O2 — CID 8761634

IUPACN-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-21(12-15-5-9-17(23-2)10-6-15)13-18(22)20-16-7-3-14(11-19)4-8-16/h3-10H,12-13H2,1-2H3,(H,20,22)
InChIKeyOWAIUJZSJGSOOT-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.64
Rot. Bonds6

About N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide

N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide (PubChem CID 8761634) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
PubChem CID8761634
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
SMILESCOc1ccc(CN(C)CC(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C18H19N3O2/c1-21(12-15-5-9-17(23-2)10-6-15)13-18(22)20-16-7-3-14(11-19)4-8-16/h3-10H,12-13H2,1-2H3,(H,20,22)
InChIKeyOWAIUJZSJGSOOT-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

2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
N-(4-cyanophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770129
2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 55986734
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054311
N-(4-cyanophenyl)-2-[furan-3-ylmethyl(methyl)amino]acetamide
CID 61222771
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
2-[(4-cyanophenyl)methyl-methylamino]-N-(3-methylphenyl)acetamide
CID 86931145
2-[2-aminoethyl(methyl)amino]-N-(4-cyanophenyl)acetamide
CID 62686451
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
2-[[2-(4-cyanoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43216434

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide (CID 8761634) is N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide is COc1ccc(CN(C)CC(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
The InChIKey is OWAIUJZSJGSOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-21(12-15-5-9-17(23-2)10-6-15)13-18(22)20-16-7-3-14(11-19)4-8-16/h3-10H,12-13H2,1-2H3,(H,20,22).
What are the key properties of N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide?
N-(4-cyanophenyl)-2-[(4-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-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 8761634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).