4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide

C25H26N2O2 — CID 109047018

IUPAC4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
SMILESCC(NC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-19(21-12-6-3-7-13-21)27-25(29)23-16-14-22(15-17-23)24(28)26-18-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-17,19H,8,11,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyACUAPYVJIMIQPZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.54
Rot. Bonds8

About 4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide

4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide (PubChem CID 109047018) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
PubChem CID109047018
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
SMILESCC(NC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C25H26N2O2/c1-19(21-12-6-3-7-13-21)27-25(29)23-16-14-22(15-17-23)24(28)26-18-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-17,19H,8,11,18H2,1H3,(H,26,28)(H,27,29)
InChIKeyACUAPYVJIMIQPZ-UHFFFAOYSA-N
XLogP4.54
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 ≤ 54.54
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-heptyl-N-(1-phenylethyl)benzamide
CID 4027314
5-N-(1-phenylethyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109105347
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 48846619
1-N-butyl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051078
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
N-[(1S)-1-phenylethyl]-4-[(E)-3-[4-[[(1S)-1-phenylethyl]carbamoyl]phenyl]but-2-en-2-yl]benzamide
CID 118604265
4-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 730323
3-(1-phenylethylamino)-N-(3-phenylpropyl)propanamide
CID 109020264
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide (CID 109047018) is 4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide is CC(NC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is ACUAPYVJIMIQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-19(21-12-6-3-7-13-21)27-25(29)23-16-14-22(15-17-23)24(28)26-18-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-17,19H,8,11,18H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).