N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide

C23H23N3O2 — CID 9054311

IUPACN-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3ccc(CC#N)cc3)ccc2c1
InChIInChI=1S/C23H23N3O2/c1-26(16-23(27)25-21-8-4-17(5-9-21)11-12-24)15-18-3-6-20-14-22(28-2)10-7-19(20)13-18/h3-10,13-14H,11,15-16H2,1-2H3,(H,25,27)
InChIKeyFDXOKEGJVVSXON-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.98
Rot. Bonds7

About N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide

N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide (PubChem CID 9054311) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
PubChem CID9054311
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
SMILESCOc1ccc2cc(CN(C)CC(=O)Nc3ccc(CC#N)cc3)ccc2c1
InChIInChI=1S/C23H23N3O2/c1-26(16-23(27)25-21-8-4-17(5-9-21)11-12-24)15-18-3-6-20-14-22(28-2)10-7-19(20)13-18/h3-10,13-14H,11,15-16H2,1-2H3,(H,25,27)
InChIKeyFDXOKEGJVVSXON-UHFFFAOYSA-N
XLogP3.98
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961
N-(4-cyanophenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761634
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
N-[4-(cyanomethyl)phenyl]-2-[(3,4-dichlorophenyl)methyl-methylamino]acetamide
CID 9041893
N-[4-(diethylsulfamoyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 27652175
N-[4-(cyanomethyl)phenyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 9042633
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 31379973
N-[4-(cyanomethyl)phenyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 51342784
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(3-sulfamoylphenyl)acetamide
CID 27652228
N-(2-fluorophenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9054040
N-(2,3-dimethylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053927

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide?
The IUPAC name of N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide (CID 9054311) is N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide?
The canonical SMILES for N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide is COc1ccc2cc(CN(C)CC(=O)Nc3ccc(CC#N)cc3)ccc2c1.
What is the InChIKey of N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide?
The InChIKey is FDXOKEGJVVSXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-26(16-23(27)25-21-8-4-17(5-9-21)11-12-24)15-18-3-6-20-14-22(28-2)10-7-19(20)13-18/h3-10,13-14H,11,15-16H2,1-2H3,(H,25,27).
What are the key properties of N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide?
N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide has a molecular weight of 373.46 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethyl)phenyl]-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide is sourced from PubChem (CID 9054311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).