2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide

C33H34N2O4 — CID 164611078

IUPAC2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)C(C)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C33H34N2O4/c1-24(27-15-17-29(18-16-27)31(37)28-13-7-4-8-14-28)33(38)34-20-9-10-21-35-22-19-30(36)32(25(35)2)39-23-26-11-5-3-6-12-26/h3-8,11-19,22,24H,9-10,20-21,23H2,1-2H3,(H,34,38)
InChIKeyVPORBGSCPFIEGO-UHFFFAOYSA-N
MW522.65 g/mol
LogP5.67
Rot. Bonds12

About 2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide

2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide (PubChem CID 164611078) has the molecular formula C33H34N2O4 and a molecular weight of 522.65 g/mol. Its IUPAC name is 2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide.

Molecular Properties

Compound Name2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide
PubChem CID164611078
Molecular FormulaC33H34N2O4
Molecular Weight522.65 g/mol
Exact Mass522.25
IUPAC Name2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)C(C)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C33H34N2O4/c1-24(27-15-17-29(18-16-27)31(37)28-13-7-4-8-14-28)33(38)34-20-9-10-21-35-22-19-30(36)32(25(35)2)39-23-26-11-5-3-6-12-26/h3-8,11-19,22,24H,9-10,20-21,23H2,1-2H3,(H,34,38)
InChIKeyVPORBGSCPFIEGO-UHFFFAOYSA-N
XLogP5.67
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.65
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide?
The IUPAC name of 2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide (CID 164611078) is 2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide.
What is the SMILES notation for 2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide?
The canonical SMILES for 2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide is Cc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)C(C)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide?
The InChIKey is VPORBGSCPFIEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N2O4/c1-24(27-15-17-29(18-16-27)31(37)28-13-7-4-8-14-28)33(38)34-20-9-10-21-35-22-19-30(36)32(25(35)2)39-23-26-11-5-3-6-12-26/h3-8,11-19,22,24H,9-10,20-21,23H2,1-2H3,(H,34,38).
What are the key properties of 2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide?
2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide has a molecular weight of 522.65 g/mol, XLogP of 5.67, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylphenyl)-N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]propanamide is sourced from PubChem (CID 164611078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).