N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide

C33H32N2O3 — CID 10185598

IUPACN-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide
SMILESCc1ccc(CC(=O)Nc2ccc(NC(=O)CCCCc3ccccc3)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C33H32N2O3/c1-24-16-18-26(19-17-24)22-32(37)35-30-21-20-28(23-29(30)33(38)27-13-6-3-7-14-27)34-31(36)15-9-8-12-25-10-4-2-5-11-25/h2-7,10-11,13-14,16-21,23H,8-9,12,15,22H2,1H3,(H,34,36)(H,35,37)
InChIKeyDEWWXXMPBVZWTK-UHFFFAOYSA-N
MW504.63 g/mol
LogP6.76
Rot. Bonds11

About N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide

N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide (PubChem CID 10185598) has the molecular formula C33H32N2O3 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide.

Molecular Properties

Compound NameN-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide
PubChem CID10185598
Molecular FormulaC33H32N2O3
Molecular Weight504.63 g/mol
Exact Mass504.24
IUPAC NameN-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide
SMILESCc1ccc(CC(=O)Nc2ccc(NC(=O)CCCCc3ccccc3)cc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C33H32N2O3/c1-24-16-18-26(19-17-24)22-32(37)35-30-21-20-28(23-29(30)33(38)27-13-6-3-7-14-27)34-31(36)15-9-8-12-25-10-4-2-5-11-25/h2-7,10-11,13-14,16-21,23H,8-9,12,15,22H2,1H3,(H,34,36)(H,35,37)
InChIKeyDEWWXXMPBVZWTK-UHFFFAOYSA-N
XLogP6.76
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.63
LogP ≤ 56.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Quinacridone
CID 13976
Cyanine Green G Base
CID 31416
C.I. Solvent Blue 35
CID 3766139
5,12-Dihydro-2,9-dimethylquino(2,3-b)acridine-7,14-dione
CID 70423
Corinth flour
CID 66479
Solvent Blue 14
CID 75847
9,10-Anthracenedione, 1-amino-4-[(4-methylphenyl)amino]-
CID 122751
Vat Yellow 3
CID 65738
Solvent Blue 63
CID 80834
Solvent Blue 59
CID 81473
Basic Blue 47
CID 82972
9-oxo-N-(2-phenylpropan-2-yl)-9,10-dihydroacridine-3-carboxamide
CID 16748017

Frequently Asked Questions

What is the IUPAC name of N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide?
The IUPAC name of N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide (CID 10185598) is N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide.
What is the SMILES notation for N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide?
The canonical SMILES for N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide is Cc1ccc(CC(=O)Nc2ccc(NC(=O)CCCCc3ccccc3)cc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide?
The InChIKey is DEWWXXMPBVZWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N2O3/c1-24-16-18-26(19-17-24)22-32(37)35-30-21-20-28(23-29(30)33(38)27-13-6-3-7-14-27)34-31(36)15-9-8-12-25-10-4-2-5-11-25/h2-7,10-11,13-14,16-21,23H,8-9,12,15,22H2,1H3,(H,34,36)(H,35,37).
What are the key properties of N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide?
N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide has a molecular weight of 504.63 g/mol, XLogP of 6.76, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-benzoyl-4-[[2-(4-methylphenyl)acetyl]amino]phenyl]-5-phenylpentanamide is sourced from PubChem (CID 10185598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).