N,2-bis[4-(2-methylpropyl)phenyl]propanamide

C23H31NO — CID 3436173

IUPACN,2-bis[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C23H31NO/c1-16(2)14-19-6-10-21(11-7-19)18(5)23(25)24-22-12-8-20(9-13-22)15-17(3)4/h6-13,16-18H,14-15H2,1-5H3,(H,24,25)
InChIKeyHYQKNKPJTXUTTH-UHFFFAOYSA-N
MW337.51 g/mol
LogP5.83
Rot. Bonds7

About N,2-bis[4-(2-methylpropyl)phenyl]propanamide

N,2-bis[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 3436173) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is N,2-bis[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN,2-bis[4-(2-methylpropyl)phenyl]propanamide
PubChem CID3436173
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC NameN,2-bis[4-(2-methylpropyl)phenyl]propanamide
SMILESCC(C)Cc1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C23H31NO/c1-16(2)14-19-6-10-21(11-7-19)18(5)23(25)24-22-12-8-20(9-13-22)15-17(3)4/h6-13,16-18H,14-15H2,1-5H3,(H,24,25)
InChIKeyHYQKNKPJTXUTTH-UHFFFAOYSA-N
XLogP5.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[4-(2-methylpropyl)phenyl]-N-(4-propan-2-ylphenyl)propanamide
CID 7313989
2-[4-(2-methylpropyl)phenyl]-N-[4-[4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]phenyl]phenyl]propanamide
CID 54781151
(2S)-N-[4-(dimethylamino)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 25019148
(2S)-N-(3,4-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228270
(2R)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228330
(2S)-N-(3,5-dimethylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 1228329
N-butan-2-yl-4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzamide
CID 54782303
N-[4-(2-methylprop-2-enoxy)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782020
propyl 4-[2-[4-(2-methylpropyl)phenyl]propanoylamino]benzoate
CID 54782126
N-[4-(tert-butylsulfamoyl)phenyl]-2-[4-(2-methylpropyl)phenyl]propanamide
CID 54782075
(2R)-N-(3,5-dimethoxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 102377979
N-(3-methylphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 5183452

Frequently Asked Questions

What is the IUPAC name of N,2-bis[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N,2-bis[4-(2-methylpropyl)phenyl]propanamide (CID 3436173) is N,2-bis[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N,2-bis[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N,2-bis[4-(2-methylpropyl)phenyl]propanamide is CC(C)Cc1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of N,2-bis[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is HYQKNKPJTXUTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-16(2)14-19-6-10-21(11-7-19)18(5)23(25)24-22-12-8-20(9-13-22)15-17(3)4/h6-13,16-18H,14-15H2,1-5H3,(H,24,25).
What are the key properties of N,2-bis[4-(2-methylpropyl)phenyl]propanamide?
N,2-bis[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 337.51 g/mol, XLogP of 5.83, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 3436173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).