1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide

C38H36N2O2 — CID 5181795

IUPAC1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H36N2O2/c41-37(39-27-25-35(29-13-5-1-6-14-29)30-15-7-2-8-16-30)33-21-23-34(24-22-33)38(42)40-28-26-36(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-24,35-36H,25-28H2,(H,39,41)(H,40,42)
InChIKeyRXWFWXIKVBSSOS-UHFFFAOYSA-N
MW552.72 g/mol
LogP7.59
Rot. Bonds12

About 1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide

1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide (PubChem CID 5181795) has the molecular formula C38H36N2O2 and a molecular weight of 552.72 g/mol. Its IUPAC name is 1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
PubChem CID5181795
Molecular FormulaC38H36N2O2
Molecular Weight552.72 g/mol
Exact Mass552.28
IUPAC Name1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C38H36N2O2/c41-37(39-27-25-35(29-13-5-1-6-14-29)30-15-7-2-8-16-30)33-21-23-34(24-22-33)38(42)40-28-26-36(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-24,35-36H,25-28H2,(H,39,41)(H,40,42)
InChIKeyRXWFWXIKVBSSOS-UHFFFAOYSA-N
XLogP7.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.72
LogP ≤ 57.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
4-chloro-N-[4-(3,3-diphenylpropylamino)-4-oxobutyl]benzamide
CID 2545215
N-(3-phenylbutyl)benzamide
CID 62403316
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3,3-diphenylpropyl)-4-methyl-3-methylsulfonylbenzamide
CID 46488801
4-(3,3-diphenylpropylcarbamoylamino)-N-prop-2-enylbenzamide
CID 52667442
4-tert-butyl-N-[(3R)-3-hydroxy-3-phenylpropyl]benzamide
CID 97038568
N-(3,3-diphenylpropyl)-3,5-dimethoxy-4-methylbenzamide
CID 2399652
3-(dimethylamino)-N-(3,3-diphenylpropyl)benzamide
CID 7892053
N-(3,3-diphenylpropyl)-3-methylsulfonylbenzamide
CID 26881037
N-[2-(3,3-diphenylpropylamino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 26796426
4-(methylamino)-N-(3-phenylbutyl)benzamide
CID 62987359

Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide?
The IUPAC name of 1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide (CID 5181795) is 1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide is O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide?
The InChIKey is RXWFWXIKVBSSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O2/c41-37(39-27-25-35(29-13-5-1-6-14-29)30-15-7-2-8-16-30)33-21-23-34(24-22-33)38(42)40-28-26-36(31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-24,35-36H,25-28H2,(H,39,41)(H,40,42).
What are the key properties of 1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide?
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide has a molecular weight of 552.72 g/mol, XLogP of 7.59, 12 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(3,3-diphenylpropyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 5181795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).