4-dodecoxy-N-tridecanoylbenzamide

C32H55NO3 — CID 14273876

IUPAC4-dodecoxy-N-tridecanoylbenzamide
SMILESCCCCCCCCCCCCOc1ccc(C(=O)NC(=O)CCCCCCCCCCCC)cc1
InChIInChI=1S/C32H55NO3/c1-3-5-7-9-11-13-15-17-19-21-23-31(34)33-32(35)29-24-26-30(27-25-29)36-28-22-20-18-16-14-12-10-8-6-4-2/h24-27H,3-23,28H2,1-2H3,(H,33,34,35)
InChIKeyJJKLQOYYICMRMH-UHFFFAOYSA-N
MW501.80 g/mol
LogP9.55
Rot. Bonds24

About 4-dodecoxy-N-tridecanoylbenzamide

4-dodecoxy-N-tridecanoylbenzamide (PubChem CID 14273876) has the molecular formula C32H55NO3 and a molecular weight of 501.80 g/mol. Its IUPAC name is 4-dodecoxy-N-tridecanoylbenzamide.

Molecular Properties

Compound Name4-dodecoxy-N-tridecanoylbenzamide
PubChem CID14273876
Molecular FormulaC32H55NO3
Molecular Weight501.80 g/mol
Exact Mass501.42
IUPAC Name4-dodecoxy-N-tridecanoylbenzamide
SMILESCCCCCCCCCCCCOc1ccc(C(=O)NC(=O)CCCCCCCCCCCC)cc1
InChIInChI=1S/C32H55NO3/c1-3-5-7-9-11-13-15-17-19-21-23-31(34)33-32(35)29-24-26-30(27-25-29)36-28-22-20-18-16-14-12-10-8-6-4-2/h24-27H,3-23,28H2,1-2H3,(H,33,34,35)
InChIKeyJJKLQOYYICMRMH-UHFFFAOYSA-N
XLogP9.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds24
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.80
LogP ≤ 59.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 54789289
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CID 139845214
4-hexoxy-N-[6-(hydroxyamino)-6-oxohexoxy]benzamide
CID 90681613
4-methoxy-N-pentanoylbenzamide
CID 175364766
4-pentoxybenzohydrazide
CID 2727702
4-hexoxy-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide
CID 4934719
N-(ethylcarbamothioyl)-4-hexoxybenzamide
CID 4934176
4-(4-docosoxyphenyl)-N'-[4-(4-docosoxyphenyl)benzoyl]benzohydrazide
CID 102344080
4-hexoxy-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide
CID 4934688
N-[(4-heptoxyphenyl)carbamothioyl]-4-hexoxybenzamide
CID 4951656
3-(2-hydroxyethoxy)-N-octadecanoylbenzamide
CID 142668873

Frequently Asked Questions

What is the IUPAC name of 4-dodecoxy-N-tridecanoylbenzamide?
The IUPAC name of 4-dodecoxy-N-tridecanoylbenzamide (CID 14273876) is 4-dodecoxy-N-tridecanoylbenzamide.
What is the SMILES notation for 4-dodecoxy-N-tridecanoylbenzamide?
The canonical SMILES for 4-dodecoxy-N-tridecanoylbenzamide is CCCCCCCCCCCCOc1ccc(C(=O)NC(=O)CCCCCCCCCCCC)cc1.
What is the InChIKey of 4-dodecoxy-N-tridecanoylbenzamide?
The InChIKey is JJKLQOYYICMRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H55NO3/c1-3-5-7-9-11-13-15-17-19-21-23-31(34)33-32(35)29-24-26-30(27-25-29)36-28-22-20-18-16-14-12-10-8-6-4-2/h24-27H,3-23,28H2,1-2H3,(H,33,34,35).
What are the key properties of 4-dodecoxy-N-tridecanoylbenzamide?
4-dodecoxy-N-tridecanoylbenzamide has a molecular weight of 501.80 g/mol, XLogP of 9.55, 24 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dodecoxy-N-tridecanoylbenzamide is sourced from PubChem (CID 14273876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).