N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide

C21H27NO2 — CID 23966812

IUPACN-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-5-16(4)17-6-10-19(11-7-17)22-21(23)18-8-12-20(13-9-18)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)
InChIKeyAPIWIPATKMVHTN-UHFFFAOYSA-N
MW325.45 g/mol
LogP5.49
Rot. Bonds7

About N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide

N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide (PubChem CID 23966812) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
PubChem CID23966812
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC NameN-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide
SMILESCCC(C)c1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1
InChIInChI=1S/C21H27NO2/c1-5-16(4)17-6-10-19(11-7-17)22-21(23)18-8-12-20(13-9-18)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23)
InChIKeyAPIWIPATKMVHTN-UHFFFAOYSA-N
XLogP5.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.45
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butan-2-yloxy-N-[4-(2-methylpropoxy)phenyl]benzamide
CID 17141312
N-butan-2-yl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17201290
N-ethyl-4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17234354
4-[[4-(2-methylpropoxy)benzoyl]amino]benzamide
CID 2994766
N-[4-(butanoylamino)phenyl]-4-(2-methylpropoxy)benzamide
CID 17202512
N-(4-heptoxyphenyl)-4-(2-methylpropoxy)benzamide
CID 4951578
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
4-benzamido-N-(4-butan-2-ylphenyl)benzamide
CID 17153198
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
N-[4-[(2R)-butan-2-yl]phenyl]-4-[(2-chlorophenyl)methoxy]benzamide
CID 8814272
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(2-methylpropoxy)benzamide
CID 4937097
4-ethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 673574

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide (CID 23966812) is N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide is CCC(C)c1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide?
The InChIKey is APIWIPATKMVHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-5-16(4)17-6-10-19(11-7-17)22-21(23)18-8-12-20(13-9-18)24-14-15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,22,23).
What are the key properties of N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide?
N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide has a molecular weight of 325.45 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-4-(2-methylpropoxy)benzamide is sourced from PubChem (CID 23966812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).