4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide

C25H26N2O2 — CID 109046799

IUPAC4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-19-8-5-6-12-23(19)18-27-25(29)22-15-13-21(14-16-22)24(28)26-17-7-11-20-9-3-2-4-10-20/h2-6,8-10,12-16H,7,11,17-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyOOQSJQOTNQYSCZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.29
Rot. Bonds8

About 4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide

4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide (PubChem CID 109046799) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
PubChem CID109046799
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
SMILESCc1ccccc1CNC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-19-8-5-6-12-23(19)18-27-25(29)22-15-13-21(14-16-22)24(28)26-17-7-11-20-9-3-2-4-10-20/h2-6,8-10,12-16H,7,11,17-18H2,1H3,(H,26,28)(H,27,29)
InChIKeyOOQSJQOTNQYSCZ-UHFFFAOYSA-N
XLogP4.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171
1-N-[2-(dimethylamino)ethyl]-4-N-[(2-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109045710
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109279989
3-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 54940691
4-N-methyl-1-N-[(2-methylphenyl)methyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109046812
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide (CID 109046799) is 4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide is Cc1ccccc1CNC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is OOQSJQOTNQYSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-19-8-5-6-12-23(19)18-27-25(29)22-15-13-21(14-16-22)24(28)26-17-7-11-20-9-3-2-4-10-20/h2-6,8-10,12-16H,7,11,17-18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.29, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109046799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).