N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide

C25H32N4O4 — CID 17219363

IUPACN,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NCCC)cc2)cc1
InChIInChI=1S/C25H32N4O4/c1-3-16-26-24(32)18-8-12-20(13-9-18)28-22(30)6-5-7-23(31)29-21-14-10-19(11-15-21)25(33)27-17-4-2/h8-15H,3-7,16-17H2,1-2H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31)
InChIKeyOQVIZJRVJVBZMW-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.71
Rot. Bonds12

About N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide

N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide (PubChem CID 17219363) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
PubChem CID17219363
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC NameN,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
SMILESCCCNC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NCCC)cc2)cc1
InChIInChI=1S/C25H32N4O4/c1-3-16-26-24(32)18-8-12-20(13-9-18)28-22(30)6-5-7-23(31)29-21-14-10-19(11-15-21)25(33)27-17-4-2/h8-15H,3-7,16-17H2,1-2H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31)
InChIKeyOQVIZJRVJVBZMW-UHFFFAOYSA-N
XLogP3.71
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
2-[[4-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]amino]acetic acid
CID 119220461
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355
4-[4-(4-acetyl-2-methoxyphenoxy)butanoylamino]-N-propylbenzamide
CID 55894328

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide?
The IUPAC name of N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide (CID 17219363) is N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide.
What is the SMILES notation for N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide?
The canonical SMILES for N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide is CCCNC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NCCC)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide?
The InChIKey is OQVIZJRVJVBZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-3-16-26-24(32)18-8-12-20(13-9-18)28-22(30)6-5-7-23(31)29-21-14-10-19(11-15-21)25(33)27-17-4-2/h8-15H,3-7,16-17H2,1-2H3,(H,26,32)(H,27,33)(H,28,30)(H,29,31).
What are the key properties of N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide?
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide has a molecular weight of 452.56 g/mol, XLogP of 3.71, 12 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide is sourced from PubChem (CID 17219363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).