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

C30H38N2O3 — CID 164613614

IUPACN-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C30H38N2O3/c1-22(2)20-25-12-14-27(15-13-25)23(3)30(34)31-17-8-9-18-32-19-16-28(33)29(24(32)4)35-21-26-10-6-5-7-11-26/h5-7,10-16,19,22-23H,8-9,17-18,20-21H2,1-4H3,(H,31,34)
InChIKeyYGPZSOUQIPNPBS-UHFFFAOYSA-N
MW474.65 g/mol
LogP5.63
Rot. Bonds12

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

N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide (PubChem CID 164613614) has the molecular formula C30H38N2O3 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide
PubChem CID164613614
Molecular FormulaC30H38N2O3
Molecular Weight474.65 g/mol
Exact Mass474.29
IUPAC NameN-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide
SMILESCc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)C(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C30H38N2O3/c1-22(2)20-25-12-14-27(15-13-25)23(3)30(34)31-17-8-9-18-32-19-16-28(33)29(24(32)4)35-21-26-10-6-5-7-11-26/h5-7,10-16,19,22-23H,8-9,17-18,20-21H2,1-4H3,(H,31,34)
InChIKeyYGPZSOUQIPNPBS-UHFFFAOYSA-N
XLogP5.63
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The IUPAC name of N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide (CID 164613614) is N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide.
What is the SMILES notation for N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The canonical SMILES for N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide is Cc1c(OCc2ccccc2)c(=O)ccn1CCCCNC(=O)C(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
The InChIKey is YGPZSOUQIPNPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N2O3/c1-22(2)20-25-12-14-27(15-13-25)23(3)30(34)31-17-8-9-18-32-19-16-28(33)29(24(32)4)35-21-26-10-6-5-7-11-26/h5-7,10-16,19,22-23H,8-9,17-18,20-21H2,1-4H3,(H,31,34).
What are the key properties of N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide?
N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide has a molecular weight of 474.65 g/mol, XLogP of 5.63, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-oxo-3-phenylmethoxy-1-pyridinyl)butyl]-2-[4-(2-methylpropyl)phenyl]propanamide is sourced from PubChem (CID 164613614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).