1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide

C26H28N2O2 — CID 43912072

IUPAC1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
SMILESCCC(NC(=O)c1ccc(C(=O)NC(CC)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-3-23(19-11-7-5-8-12-19)27-25(29)21-15-17-22(18-16-21)26(30)28-24(4-2)20-13-9-6-10-14-20/h5-18,23-24H,3-4H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHAVFWXOXPWUADG-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.45
Rot. Bonds8

About 1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide

1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide (PubChem CID 43912072) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is 1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
PubChem CID43912072
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
SMILESCCC(NC(=O)c1ccc(C(=O)NC(CC)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-3-23(19-11-7-5-8-12-19)27-25(29)21-15-17-22(18-16-21)26(30)28-24(4-2)20-13-9-6-10-14-20/h5-18,23-24H,3-4H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyHAVFWXOXPWUADG-UHFFFAOYSA-N
XLogP5.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-phenylpropyl)-4-propan-2-ylbenzamide
CID 17327920
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
N-[(1S)-1-phenylpropyl]-4-propan-2-yloxybenzamide
CID 28632520
N-[1-(4-methylphenyl)propyl]-4-phenylbenzamide
CID 17328245
N-[(1S)-1-(4-bromophenyl)propyl]benzamide
CID 26776311
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
3-hydroxy-N-(1-phenylpropyl)benzamide
CID 55057527
6-chloro-N-(1-phenylpropyl)pyridine-3-carboxamide
CID 17168005
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
4-heptoxy-N-(1-phenylpropyl)benzamide
CID 43911534
4-ethyl-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945042
methyl 3-(1-phenylpropylcarbamoyl)benzoate
CID 43911594

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide (CID 43912072) is 1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide is CCC(NC(=O)c1ccc(C(=O)NC(CC)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is HAVFWXOXPWUADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-3-23(19-11-7-5-8-12-19)27-25(29)21-15-17-22(18-16-21)26(30)28-24(4-2)20-13-9-6-10-14-20/h5-18,23-24H,3-4H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 400.52 g/mol, XLogP of 5.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 43912072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).