2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide

C20H22N2O — CID 121494417

IUPAC2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide
SMILESCC(C)(C#N)c1ccc(-c2ccc(C(C)(C)C(N)=O)cc2)cc1
InChIInChI=1S/C20H22N2O/c1-19(2,13-21)16-9-5-14(6-10-16)15-7-11-17(12-8-15)20(3,4)18(22)23/h5-12H,1-4H3,(H2,22,23)
InChIKeyHRHZKZJXZXHRAM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.92
Rot. Bonds4

About 2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide

2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide (PubChem CID 121494417) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide
PubChem CID121494417
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide
SMILESCC(C)(C#N)c1ccc(-c2ccc(C(C)(C)C(N)=O)cc2)cc1
InChIInChI=1S/C20H22N2O/c1-19(2,13-21)16-9-5-14(6-10-16)15-7-11-17(12-8-15)20(3,4)18(22)23/h5-12H,1-4H3,(H2,22,23)
InChIKeyHRHZKZJXZXHRAM-UHFFFAOYSA-N
XLogP3.92
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(4-fluorophenyl)phenyl]-2-methylpropanenitrile
CID 82084297
2-(4-aminophenyl)-2-methylpropanamide;hydrochloride
CID 155973359
2-amino-5-[4-(2-cyanopropan-2-yl)phenyl]thiophene-3-carboxamide
CID 58216656
2-(4-chlorophenyl)-2-methylpropanamide;hydrochloride
CID 141041521
2-[3-[4-(2-cyanopropan-2-yl)phenyl]phenyl]acetic acid
CID 122569216
2-[4-(2,6-dimethyl-4-pyridinyl)phenyl]-2-methylpropanenitrile
CID 72861892
2-[4-(4-ethoxyphenyl)phenyl]-2-methylpropanenitrile
CID 82091776
2-bromo-N-[4-(2-cyanopropan-2-yl)phenyl]propanamide
CID 107903592
2-[4-[(1R)-1-aminoethyl]phenyl]-2-methylpropanenitrile
CID 58298494
(2S)-2-amino-N-[4-(2-cyanopropan-2-yl)phenyl]-3-methylpentanamide
CID 61172106
2-[4-(2-chlorophenyl)phenyl]-2-methylpropanenitrile
CID 82088863
2-(4-butylphenyl)-2-methylpropanamide
CID 70289793

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide (CID 121494417) is 2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide is CC(C)(C#N)c1ccc(-c2ccc(C(C)(C)C(N)=O)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide?
The InChIKey is HRHZKZJXZXHRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-19(2,13-21)16-9-5-14(6-10-16)15-7-11-17(12-8-15)20(3,4)18(22)23/h5-12H,1-4H3,(H2,22,23).
What are the key properties of 2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide?
2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-cyanopropan-2-yl)phenyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 121494417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).