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

C27H36N4O4 — CID 17195941

IUPACN,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NCCCC)cc2)cc1
InChIInChI=1S/C27H36N4O4/c1-3-5-18-28-26(34)20-10-14-22(15-11-20)30-24(32)8-7-9-25(33)31-23-16-12-21(13-17-23)27(35)29-19-6-4-2/h10-17H,3-9,18-19H2,1-2H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)
InChIKeyFNGYZWXLQLQLCB-UHFFFAOYSA-N
MW480.61 g/mol
LogP4.49
Rot. Bonds14

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

N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide (PubChem CID 17195941) has the molecular formula C27H36N4O4 and a molecular weight of 480.61 g/mol. Its IUPAC name is N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide.

Molecular Properties

Compound NameN,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
PubChem CID17195941
Molecular FormulaC27H36N4O4
Molecular Weight480.61 g/mol
Exact Mass480.27
IUPAC NameN,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
SMILESCCCCNC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NCCCC)cc2)cc1
InChIInChI=1S/C27H36N4O4/c1-3-5-18-28-26(34)20-10-14-22(15-11-20)30-24(32)8-7-9-25(33)31-23-16-12-21(13-17-23)27(35)29-19-6-4-2/h10-17H,3-9,18-19H2,1-2H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33)
InChIKeyFNGYZWXLQLQLCB-UHFFFAOYSA-N
XLogP4.49
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.61
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
N-butyl-4-[[2-(diethylamino)acetyl]amino]benzamide
CID 54813570
N-butyl-4-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 54817609
4-[[2-(4-acetamidoanilino)acetyl]amino]-N-butylbenzamide
CID 54809409

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide?
The IUPAC name of N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide (CID 17195941) is N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide.
What is the SMILES notation for N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide?
The canonical SMILES for N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide is CCCCNC(=O)c1ccc(NC(=O)CCCC(=O)Nc2ccc(C(=O)NCCCC)cc2)cc1.
What is the InChIKey of N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide?
The InChIKey is FNGYZWXLQLQLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O4/c1-3-5-18-28-26(34)20-10-14-22(15-11-20)30-24(32)8-7-9-25(33)31-23-16-12-21(13-17-23)27(35)29-19-6-4-2/h10-17H,3-9,18-19H2,1-2H3,(H,28,34)(H,29,35)(H,30,32)(H,31,33).
What are the key properties of N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide?
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide has a molecular weight of 480.61 g/mol, XLogP of 4.49, 14 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide is sourced from PubChem (CID 17195941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).