N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide

C24H24N2O3 — CID 52710157

IUPACN-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-29-22-16-10-18(11-17-22)23(27)8-5-9-24(28)26-21-14-12-20(13-15-21)25-19-6-3-2-4-7-19/h2-4,6-7,10-17,25H,5,8-9H2,1H3,(H,26,28)
InChIKeyVLHGUNJZIAVFOA-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.43
Rot. Bonds9

About N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide

N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide (PubChem CID 52710157) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
PubChem CID52710157
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide
SMILESCOc1ccc(C(=O)CCCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-29-22-16-10-18(11-17-22)23(27)8-5-9-24(28)26-21-14-12-20(13-15-21)25-19-6-3-2-4-7-19/h2-4,6-7,10-17,25H,5,8-9H2,1H3,(H,26,28)
InChIKeyVLHGUNJZIAVFOA-UHFFFAOYSA-N
XLogP5.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl]acetic acid
CID 119351782
N-(4-ethoxyphenyl)-5-oxo-5-phenylpentanamide
CID 110356036
S-[4-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56532906
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
4-(4-methoxyphenyl)-N-phenylbutanamide
CID 48980411
6-(4-methoxyanilino)-6-oxohexanoic acid
CID 19422065
N-(4-iodophenyl)-4-(4-methoxyphenyl)-4-oxobutanamide
CID 84569328
N,3-bis(4-methoxyphenyl)-3-oxopropanamide
CID 23763529
methyl 2-chloro-5-[[5-(4-methoxyphenyl)-5-oxopentanoyl]amino]benzoate
CID 110306530
N-methoxy-5-(4-methoxyphenyl)-5-oxopentanamide
CID 47413820
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The IUPAC name of N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide (CID 52710157) is N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide.
What is the SMILES notation for N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The canonical SMILES for N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide is COc1ccc(C(=O)CCCC(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
The InChIKey is VLHGUNJZIAVFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-29-22-16-10-18(11-17-22)23(27)8-5-9-24(28)26-21-14-12-20(13-15-21)25-19-6-3-2-4-7-19/h2-4,6-7,10-17,25H,5,8-9H2,1H3,(H,26,28).
What are the key properties of N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide?
N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide has a molecular weight of 388.47 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-5-(4-methoxyphenyl)-5-oxopentanamide is sourced from PubChem (CID 52710157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).