4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide

C30H29N3O — CID 91415061

IUPAC4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide
SMILESCCN(CC)Cc1ccc2c(CNC(=O)c3ccc(-c4ccc(C#N)cc4)cc3)cccc2c1
InChIInChI=1S/C30H29N3O/c1-3-33(4-2)21-23-10-17-29-27(18-23)6-5-7-28(29)20-32-30(34)26-15-13-25(14-16-26)24-11-8-22(19-31)9-12-24/h5-18H,3-4,20-21H2,1-2H3,(H,32,34)
InChIKeyUQERJUMPNKCENU-UHFFFAOYSA-N
MW447.58 g/mol
LogP6.15
Rot. Bonds8

About 4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide

4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide (PubChem CID 91415061) has the molecular formula C30H29N3O and a molecular weight of 447.58 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide
PubChem CID91415061
Molecular FormulaC30H29N3O
Molecular Weight447.58 g/mol
Exact Mass447.23
IUPAC Name4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide
SMILESCCN(CC)Cc1ccc2c(CNC(=O)c3ccc(-c4ccc(C#N)cc4)cc3)cccc2c1
InChIInChI=1S/C30H29N3O/c1-3-33(4-2)21-23-10-17-29-27(18-23)6-5-7-28(29)20-32-30(34)26-15-13-25(14-16-26)24-11-8-22(19-31)9-12-24/h5-18H,3-4,20-21H2,1-2H3,(H,32,34)
InChIKeyUQERJUMPNKCENU-UHFFFAOYSA-N
XLogP6.15
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyanophenyl)-N-[[6-(ethylaminomethyl)naphthalen-1-yl]methyl]-N-methylbenzamide
CID 91313221
N-[[6-[(dimethylamino)methyl]naphthalen-1-yl]methyl]-4-(3-fluorophenyl)benzamide
CID 25012741
N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]formamide
CID 87736571
4-(4-nitrophenyl)-N-[[6-(piperazin-1-ylmethyl)naphthalen-1-yl]methyl]benzamide
CID 90772202
N-[2-[[4-(diethylaminomethyl)phenyl]methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 8948128
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
4-cyano-N-[4-(diethylamino)but-2-ynyl]benzamide
CID 71792453
N-[[6-[[ethyl(methyl)amino]methyl]naphthalen-1-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenyl]benzamide
CID 91074212
4-cyano-N-[(2,5-dimethylfuran-3-yl)methyl]benzamide
CID 90536031
N-[(4-cyano-2-fluorophenyl)methyl]-4-ethylbenzamide
CID 63359701
N-benzyl-4-cyano(111C)cyclohexa-1,3,5-triene-1-carboxamide
CID 177456736
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-methoxybenzamide
CID 8947686

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide?
The IUPAC name of 4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide (CID 91415061) is 4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide.
What is the SMILES notation for 4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide?
The canonical SMILES for 4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide is CCN(CC)Cc1ccc2c(CNC(=O)c3ccc(-c4ccc(C#N)cc4)cc3)cccc2c1.
What is the InChIKey of 4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide?
The InChIKey is UQERJUMPNKCENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O/c1-3-33(4-2)21-23-10-17-29-27(18-23)6-5-7-28(29)20-32-30(34)26-15-13-25(14-16-26)24-11-8-22(19-31)9-12-24/h5-18H,3-4,20-21H2,1-2H3,(H,32,34).
What are the key properties of 4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide?
4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide has a molecular weight of 447.58 g/mol, XLogP of 6.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-N-[[6-(diethylaminomethyl)naphthalen-1-yl]methyl]benzamide is sourced from PubChem (CID 91415061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).