3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide

C31H39NO — CID 138710547

IUPAC3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide
SMILESCc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(NC(=O)CC(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C31H39NO/c1-22-12-14-23(15-13-22)30(5,6)25-10-9-11-26(20-25)31(7,8)24-16-18-27(19-17-24)32-28(33)21-29(2,3)4/h9-20H,21H2,1-8H3,(H,32,33)
InChIKeyBJFRASBXOHCUJH-UHFFFAOYSA-N
MW441.66 g/mol
LogP8.02
Rot. Bonds6

About 3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide

3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide (PubChem CID 138710547) has the molecular formula C31H39NO and a molecular weight of 441.66 g/mol. Its IUPAC name is 3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide
PubChem CID138710547
Molecular FormulaC31H39NO
Molecular Weight441.66 g/mol
Exact Mass441.30
IUPAC Name3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide
SMILESCc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(NC(=O)CC(C)(C)C)cc3)c2)cc1
InChIInChI=1S/C31H39NO/c1-22-12-14-23(15-13-22)30(5,6)25-10-9-11-26(20-25)31(7,8)24-16-18-27(19-17-24)32-28(33)21-29(2,3)4/h9-20H,21H2,1-8H3,(H,32,33)
InChIKeyBJFRASBXOHCUJH-UHFFFAOYSA-N
XLogP8.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.66
LogP ≤ 58.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide with MolForge

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Related Compounds

1-methyl-4-(2-phenylpropan-2-yl)benzene;1-methyl-4-[2-[3-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene;1-methyl-4-[2-[4-(2-phenylpropan-2-yl)phenyl]propan-2-yl]benzene
CID 159818582
2-bromo-N-[4-[2-[4-[(2-bromoacetyl)amino]phenyl]propan-2-yl]phenyl]acetamide
CID 153321957
N-[6-(3,3-dimethylbutanoylamino)-2-pyridinyl]-4-methylbenzamide
CID 102532473
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
N'-(4-tert-butylphenyl)-N-(4-methylphenyl)decanediamide
CID 173311186
3,3-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 60565839
3,3-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]butanamide
CID 26907229
N-(4-formylphenyl)-3,3-dimethylbutanamide
CID 106912209
ethyl 4-(3,3-dimethylbutanoylamino)benzoate
CID 4629358
3,3-dimethyl-N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 39130919
lead(2+);bis(2-(4-methylanilino)-2-oxoethanethiolate)
CID 6095733
N-[4-[5-[3-[2-[4-(3,3-dimethylbutanoylamino)phenyl]-1H-imidazol-5-yl]phenyl]-1H-imidazol-2-yl]phenyl]-3,3-dimethylbutanamide
CID 144664678

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide (CID 138710547) is 3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide is Cc1ccc(C(C)(C)c2cccc(C(C)(C)c3ccc(NC(=O)CC(C)(C)C)cc3)c2)cc1.
What is the InChIKey of 3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide?
The InChIKey is BJFRASBXOHCUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39NO/c1-22-12-14-23(15-13-22)30(5,6)25-10-9-11-26(20-25)31(7,8)24-16-18-27(19-17-24)32-28(33)21-29(2,3)4/h9-20H,21H2,1-8H3,(H,32,33).
What are the key properties of 3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide?
3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide has a molecular weight of 441.66 g/mol, XLogP of 8.02, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]butanamide is sourced from PubChem (CID 138710547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).