N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide

C18H19N3O — CID 110664187

IUPACN-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide
SMILESCc1ccc(C(C#N)NC(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H19N3O/c1-13-7-9-14(10-8-13)17(12-19)20-18(22)15-5-4-6-16(11-15)21(2)3/h4-11,17H,1-3H3,(H,20,22)
InChIKeyYYRZOZDGHIJLAN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.06
Rot. Bonds4

About N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide

N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide (PubChem CID 110664187) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide
PubChem CID110664187
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC NameN-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide
SMILESCc1ccc(C(C#N)NC(=O)c2cccc(N(C)C)c2)cc1
InChIInChI=1S/C18H19N3O/c1-13-7-9-14(10-8-13)17(12-19)20-18(22)15-5-4-6-16(11-15)21(2)3/h4-11,17H,1-3H3,(H,20,22)
InChIKeyYYRZOZDGHIJLAN-UHFFFAOYSA-N
XLogP3.06
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyano-(4-methylphenyl)methyl]-3-fluorobenzamide
CID 82123290
3-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 112766095
N-[cyano-(4-fluorophenyl)methyl]-3-methylbenzamide
CID 78631291
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
3-(dimethylamino)-N-[(2S)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51941960
3-(dimethylamino)-N-(4-methylphenyl)benzamide
CID 7899886
N-(2-cyanopropyl)-3-(dimethylamino)benzamide
CID 62652034
N-[(R)-cyano-(4-fluorophenyl)methyl]-3-methoxybenzamide
CID 9246130
3-(dimethylamino)-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 91760968
N-[(2R)-butan-2-yl]-3-(dimethylamino)benzamide
CID 25345776
N-butan-2-yl-3-(dimethylamino)benzamide
CID 17310829
3-cyano-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60739766

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide?
The IUPAC name of N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide (CID 110664187) is N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide.
What is the SMILES notation for N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide?
The canonical SMILES for N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide is Cc1ccc(C(C#N)NC(=O)c2cccc(N(C)C)c2)cc1.
What is the InChIKey of N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide?
The InChIKey is YYRZOZDGHIJLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-13-7-9-14(10-8-13)17(12-19)20-18(22)15-5-4-6-16(11-15)21(2)3/h4-11,17H,1-3H3,(H,20,22).
What are the key properties of N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide?
N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide has a molecular weight of 293.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(4-methylphenyl)methyl]-3-(dimethylamino)benzamide is sourced from PubChem (CID 110664187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).