4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide

C22H22N2O — CID 119061327

IUPAC4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2cccc(C#N)c2)cc1)C(C1CC1)C1CC1
InChIInChI=1S/C22H22N2O/c1-24(21(17-7-8-17)18-9-10-18)22(25)19-11-5-16(6-12-19)20-4-2-3-15(13-20)14-23/h2-6,11-13,17-18,21H,7-10H2,1H3
InChIKeyGWGDRNTXGZPRJV-UHFFFAOYSA-N
MW330.43 g/mol
LogP4.49
Rot. Bonds5

About 4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide

4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide (PubChem CID 119061327) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide
PubChem CID119061327
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2cccc(C#N)c2)cc1)C(C1CC1)C1CC1
InChIInChI=1S/C22H22N2O/c1-24(21(17-7-8-17)18-9-10-18)22(25)19-11-5-16(6-12-19)20-4-2-3-15(13-20)14-23/h2-6,11-13,17-18,21H,7-10H2,1H3
InChIKeyGWGDRNTXGZPRJV-UHFFFAOYSA-N
XLogP4.49
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-cyanophenyl)-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 119059199
2-[4-(3-cyanophenyl)phenyl]-N,N-dimethylacetamide
CID 72893749
ethyl 4-(3-cyanophenyl)benzoate
CID 71764677
4-(3-cyanophenyl)-N-(oxan-4-yl)benzamide
CID 119070352
3-(4-acetyl-3-chlorophenyl)benzonitrile
CID 82770869
3-[4-(1,2,2-triphenylethenyl)phenyl]benzonitrile
CID 139203949
2-[(3-cyanobenzoyl)-methylamino]propanoic acid
CID 62626883
4-(3-cyanophenyl)benzenecarboximidamide
CID 6345365
3-(3-acetyl-4-methylphenyl)benzonitrile
CID 70243297
3-[4-[(3R)-3-[(dimethylamino)methyl]-3-hydroxypiperidine-1-carbonyl]phenyl]benzonitrile
CID 126450683
3-cyano-N-[(1R)-1-cyclopropylethyl]benzamide
CID 51547055
3-cyano-N-[(1S)-1-cyclopropylethyl]benzamide
CID 51547056

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide?
The IUPAC name of 4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide (CID 119061327) is 4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide is CN(C(=O)c1ccc(-c2cccc(C#N)c2)cc1)C(C1CC1)C1CC1.
What is the InChIKey of 4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide?
The InChIKey is GWGDRNTXGZPRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-24(21(17-7-8-17)18-9-10-18)22(25)19-11-5-16(6-12-19)20-4-2-3-15(13-20)14-23/h2-6,11-13,17-18,21H,7-10H2,1H3.
What are the key properties of 4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide?
4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide has a molecular weight of 330.43 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-N-(dicyclopropylmethyl)-N-methylbenzamide is sourced from PubChem (CID 119061327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).