4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide

C20H22N2O — CID 17444680

IUPAC4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(C#N)cc2)C(C)C)cc1
InChIInChI=1S/C20H22N2O/c1-4-15-5-9-17(10-6-15)19(14(2)3)22-20(23)18-11-7-16(13-21)8-12-18/h5-12,14,19H,4H2,1-3H3,(H,22,23)
InChIKeyGXRASBRFWMOEQA-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.25
Rot. Bonds5

About 4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide

4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide (PubChem CID 17444680) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide
PubChem CID17444680
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide
SMILESCCc1ccc(C(NC(=O)c2ccc(C#N)cc2)C(C)C)cc1
InChIInChI=1S/C20H22N2O/c1-4-15-5-9-17(10-6-15)19(14(2)3)22-20(23)18-11-7-16(13-21)8-12-18/h5-12,14,19H,4H2,1-3H3,(H,22,23)
InChIKeyGXRASBRFWMOEQA-UHFFFAOYSA-N
XLogP4.25
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]naphthalene-2-carboxamide
CID 7671180
4-cyano-N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]benzamide
CID 7671678
4-cyano-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 43010261
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
[2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9126045
N-[1-(4-cyanophenyl)-2-methylpropyl]-2,2,2-trifluoroacetamide
CID 87226654
N'-[2-(4-cyanophenoxy)propanoyl]-4-ethylbenzohydrazide
CID 78780605
N-(1-bromopropan-2-yl)-4-cyanobenzamide
CID 114310444
4-chloro-N-[1-(4-cyanophenyl)ethyl]benzamide
CID 47161757
N-[1-(4-chlorophenyl)ethyl]-4-cyanobenzamide
CID 4823964
4-ethoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 74613821
4-(difluoromethoxy)-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methoxybenzamide
CID 18276449

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide?
The IUPAC name of 4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide (CID 17444680) is 4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide.
What is the SMILES notation for 4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide?
The canonical SMILES for 4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide is CCc1ccc(C(NC(=O)c2ccc(C#N)cc2)C(C)C)cc1.
What is the InChIKey of 4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide?
The InChIKey is GXRASBRFWMOEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-4-15-5-9-17(10-6-15)19(14(2)3)22-20(23)18-11-7-16(13-21)8-12-18/h5-12,14,19H,4H2,1-3H3,(H,22,23).
What are the key properties of 4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide?
4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(4-ethylphenyl)-2-methylpropyl]benzamide is sourced from PubChem (CID 17444680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).