4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide

C21H26N2O2 — CID 48846619

IUPAC4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-21(2,3)23-20(25)18-13-11-17(12-14-18)19(24)22-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyJDRPHLMBSMXQQM-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.58
Rot. Bonds6

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

4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide (PubChem CID 48846619) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
PubChem CID48846619
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
SMILESCC(C)(C)NC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-21(2,3)23-20(25)18-13-11-17(12-14-18)19(24)22-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H,22,24)(H,23,25)
InChIKeyJDRPHLMBSMXQQM-UHFFFAOYSA-N
XLogP3.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.58
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

N-(3-phenylpropyl)-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)benzamide
CID 91126455
methyl 4-(3-phenylpropylcarbamoyl)benzoate
CID 27646995
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
4-(dimethylamino)-N-(3-phenylpropyl)benzamide
CID 27647106
4-N-(1-phenylethyl)-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047018
4-(hydroxyamino)-N-(3-phenylpropyl)benzamide
CID 87991193
4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide
CID 118607429
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
4-N-[(2-methylphenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109046799
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490
N-tert-butyl-5-(3-phenylpropylamino)pyridine-3-carboxamide
CID 109239083
4-N-[(2-fluorophenyl)methyl]-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide
CID 109047171

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide (CID 48846619) is 4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide is CC(C)(C)NC(=O)c1ccc(C(=O)NCCCc2ccccc2)cc1.
What is the InChIKey of 4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is JDRPHLMBSMXQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-21(2,3)23-20(25)18-13-11-17(12-14-18)19(24)22-15-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-14H,7,10,15H2,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide?
4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-1-N-(3-phenylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 48846619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).