N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide

C27H36N4O6 — CID 17205407

IUPACN,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NCCCOC)cc2)cc1
InChIInChI=1S/C27H36N4O6/c1-36-18-4-16-28-26(34)20-8-12-22(13-9-20)30-24(32)6-3-7-25(33)31-23-14-10-21(11-15-23)27(35)29-17-5-19-37-2/h8-15H,3-7,16-19H2,1-2H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)
InChIKeyRNLBHOZAPAQAFD-UHFFFAOYSA-N
MW512.61 g/mol
LogP2.97
Rot. Bonds16

About N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide

N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide (PubChem CID 17205407) has the molecular formula C27H36N4O6 and a molecular weight of 512.61 g/mol. Its IUPAC name is N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
PubChem CID17205407
Molecular FormulaC27H36N4O6
Molecular Weight512.61 g/mol
Exact Mass512.26
IUPAC NameN,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NCCCOC)cc2)cc1
InChIInChI=1S/C27H36N4O6/c1-36-18-4-16-28-26(34)20-8-12-22(13-9-20)30-24(32)6-3-7-25(33)31-23-14-10-21(11-15-23)27(35)29-17-5-19-37-2/h8-15H,3-7,16-19H2,1-2H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)
InChIKeyRNLBHOZAPAQAFD-UHFFFAOYSA-N
XLogP2.97
TPSA134.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.61
LogP ≤ 52.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
N-(3-methoxypropyl)-4-[[2-(3-methoxypropylamino)acetyl]amino]benzamide
CID 54828874
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
4-[[2-[4-(ethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-(3-methoxypropyl)benzamide
CID 54836454
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N-(3-methoxypropyl)-4-[[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54836394
4-N-(4-chlorophenyl)-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045341
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(3-methoxypropyl)benzamide
CID 17205057
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N-(3-methoxypropyl)-4-(tetradecanoylcarbamothioylamino)benzamide
CID 54791193

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide?
The IUPAC name of N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide (CID 17205407) is N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide.
What is the SMILES notation for N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide?
The canonical SMILES for N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide is COCCCNC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NCCCOC)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide?
The InChIKey is RNLBHOZAPAQAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O6/c1-36-18-4-16-28-26(34)20-8-12-22(13-9-20)30-24(32)6-3-7-25(33)31-23-14-10-21(11-15-23)27(35)29-17-5-19-37-2/h8-15H,3-7,16-19H2,1-2H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33).
What are the key properties of N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide?
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide has a molecular weight of 512.61 g/mol, XLogP of 2.97, 16 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide is sourced from PubChem (CID 17205407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).