4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide

C28H34N2O — CID 141172178

IUPAC4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide
SMILESCC(C)CC(Nc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C28H34N2O/c1-19(2)18-26(22-6-8-23(9-7-22)27(29)31)30-25-16-12-21(13-17-25)20-10-14-24(15-11-20)28(3,4)5/h6-17,19,26,30H,18H2,1-5H3,(H2,29,31)
InChIKeyCTISJWLKNJKMTD-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.95
Rot. Bonds7

About 4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide

4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide (PubChem CID 141172178) has the molecular formula C28H34N2O and a molecular weight of 414.59 g/mol. Its IUPAC name is 4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide.

Molecular Properties

Compound Name4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide
PubChem CID141172178
Molecular FormulaC28H34N2O
Molecular Weight414.59 g/mol
Exact Mass414.27
IUPAC Name4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide
SMILESCC(C)CC(Nc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)c1ccc(C(N)=O)cc1
InChIInChI=1S/C28H34N2O/c1-19(2)18-26(22-6-8-23(9-7-22)27(29)31)30-25-16-12-21(13-17-25)20-10-14-24(15-11-20)28(3,4)5/h6-17,19,26,30H,18H2,1-5H3,(H2,29,31)
InChIKeyCTISJWLKNJKMTD-UHFFFAOYSA-N
XLogP6.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]benzamide
CID 141172180
6-[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]anilino]butyl]pyridine-3-carboxamide
CID 141333563
5-[4-[[1-[4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)phenyl]-3-methylbutyl]amino]phenyl]-5-oxopentanoic acid
CID 158294468
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
6-[[(1R)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyridine-3-carboxylic acid
CID 67981033
[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]-[2-(4-carbamoylanilino)-2-oxoethyl]azanium
CID 9129510
4-(1-hydroxy-3-methylbutyl)benzamide
CID 118216553
4-[[[1-(4-tert-butylphenyl)-2-methylpropyl]amino]methyl]benzamide
CID 18124565
4-[[(2S)-2-[[(1R)-1-(4-tert-butylphenyl)-2-methylpropyl]amino]propanoyl]amino]benzamide
CID 9129619
N-[4-[(3-methyl-1-phenylbutyl)amino]phenyl]acetamide
CID 43824761
3-[[5-[[(1S)-3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyrimidine-2-carbonyl]amino]propanoic acid
CID 57388937
ethyl 3-[[5-[[3-methyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]butyl]amino]pyrimidine-2-carbonyl]amino]propanoate
CID 67980658

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide?
The IUPAC name of 4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide (CID 141172178) is 4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide.
What is the SMILES notation for 4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide?
The canonical SMILES for 4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide is CC(C)CC(Nc1ccc(-c2ccc(C(C)(C)C)cc2)cc1)c1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide?
The InChIKey is CTISJWLKNJKMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O/c1-19(2)18-26(22-6-8-23(9-7-22)27(29)31)30-25-16-12-21(13-17-25)20-10-14-24(15-11-20)28(3,4)5/h6-17,19,26,30H,18H2,1-5H3,(H2,29,31).
What are the key properties of 4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide?
4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide has a molecular weight of 414.59 g/mol, XLogP of 6.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(4-tert-butylphenyl)anilino]-3-methylbutyl]benzamide is sourced from PubChem (CID 141172178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).