4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide

C26H36N4O3 — CID 110839377

IUPAC4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)CCCCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H36N4O3/c1-3-30(4-2)20-19-28-26(33)22-14-16-23(17-15-22)29-24(31)13-9-6-10-18-27-25(32)21-11-7-5-8-12-21/h5,7-8,11-12,14-17H,3-4,6,9-10,13,18-20H2,1-2H3,(H,27,32)(H,28,33)(H,29,31)
InChIKeyNZIBYXAQRQTEAL-UHFFFAOYSA-N
MW452.60 g/mol
LogP3.69
Rot. Bonds14

About 4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide

4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide (PubChem CID 110839377) has the molecular formula C26H36N4O3 and a molecular weight of 452.60 g/mol. Its IUPAC name is 4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
PubChem CID110839377
Molecular FormulaC26H36N4O3
Molecular Weight452.60 g/mol
Exact Mass452.28
IUPAC Name4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)CCCCCNC(=O)c2ccccc2)cc1
InChIInChI=1S/C26H36N4O3/c1-3-30(4-2)20-19-28-26(33)22-14-16-23(17-15-22)29-24(31)13-9-6-10-18-27-25(32)21-11-7-5-8-12-21/h5,7-8,11-12,14-17H,3-4,6,9-10,13,18-20H2,1-2H3,(H,27,32)(H,28,33)(H,29,31)
InChIKeyNZIBYXAQRQTEAL-UHFFFAOYSA-N
XLogP3.69
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(decanoylamino)-N-nonylbenzamide
CID 3464563
methyl 4-[4-[2-(diethylamino)ethylcarbamoyl]anilino]-4-oxobutanoate
CID 108797576
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-4-phenylbenzamide
CID 17229715
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N-[2-(diethylamino)ethyl]-4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzamide
CID 2406200
N-[2-(diethylamino)ethyl]-4-[[2-(2-methylphenyl)acetyl]amino]benzamide
CID 26163528
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
4-(4-benzamidobutanoylamino)benzamide
CID 29374160
4-acetamido-N-[2-(diethylamino)ethyl]benzamide;hydron;chloride
CID 67108272
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
2-chloro-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]benzamide
CID 12500967

Frequently Asked Questions

What is the IUPAC name of 4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide?
The IUPAC name of 4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide (CID 110839377) is 4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide.
What is the SMILES notation for 4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide?
The canonical SMILES for 4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)CCCCCNC(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide?
The InChIKey is NZIBYXAQRQTEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3/c1-3-30(4-2)20-19-28-26(33)22-14-16-23(17-15-22)29-24(31)13-9-6-10-18-27-25(32)21-11-7-5-8-12-21/h5,7-8,11-12,14-17H,3-4,6,9-10,13,18-20H2,1-2H3,(H,27,32)(H,28,33)(H,29,31).
What are the key properties of 4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide?
4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide has a molecular weight of 452.60 g/mol, XLogP of 3.69, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-benzamidohexanoylamino)-N-[2-(diethylamino)ethyl]benzamide is sourced from PubChem (CID 110839377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).