4-benzoyl-N,N-bis(octadec-1-enyl)benzamide

C50H79NO2 — CID 139819792

IUPAC4-benzoyl-N,N-bis(octadec-1-enyl)benzamide
SMILESCCCCCCCCCCCCCCCCC=CN(C=CCCCCCCCCCCCCCCCC)C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C50H79NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-44-51(45-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)50(53)48-42-40-47(41-43-48)49(52)46-38-34-33-35-39-46/h33-45H,3-32H2,1-2H3
InChIKeyVIEQXCWBQIEIIB-UHFFFAOYSA-N
MW726.19 g/mol
LogP16.13
Rot. Bonds35

About 4-benzoyl-N,N-bis(octadec-1-enyl)benzamide

4-benzoyl-N,N-bis(octadec-1-enyl)benzamide (PubChem CID 139819792) has the molecular formula C50H79NO2 and a molecular weight of 726.19 g/mol. Its IUPAC name is 4-benzoyl-N,N-bis(octadec-1-enyl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N,N-bis(octadec-1-enyl)benzamide
PubChem CID139819792
Molecular FormulaC50H79NO2
Molecular Weight726.19 g/mol
Exact Mass725.61
IUPAC Name4-benzoyl-N,N-bis(octadec-1-enyl)benzamide
SMILESCCCCCCCCCCCCCCCCC=CN(C=CCCCCCCCCCCCCCCCC)C(=O)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C50H79NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-44-51(45-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)50(53)48-42-40-47(41-43-48)49(52)46-38-34-33-35-39-46/h33-45H,3-32H2,1-2H3
InChIKeyVIEQXCWBQIEIIB-UHFFFAOYSA-N
XLogP16.13
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds35
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500726.19
LogP ≤ 516.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[bis(octadec-1-enyl)carbamoyl]benzoic acid
CID 139819843
3-methoxy-N,N-bis(octadec-1-enyl)benzamide
CID 139819846
diphenylmethanone;heptanal;heptan-1-ol
CID 158829151
N-octadec-9-enylbenzamide
CID 54554566
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012
N-[(E)-dec-1-enyl]benzamide
CID 71501503
2,4-dichloro-N,N-bis(octadec-1-enyl)benzamide
CID 139819781
N-phenyldec-2-enamide
CID 72974313
N-[(E)-hept-1-enyl]benzamide
CID 6917534
N-ethyl-N-[(E)-hexadec-1-enyl]aniline
CID 22151150
decanal;1-phenylethanone
CID 161488656
N-phenyldocos-13-enamide
CID 54224492

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N,N-bis(octadec-1-enyl)benzamide?
The IUPAC name of 4-benzoyl-N,N-bis(octadec-1-enyl)benzamide (CID 139819792) is 4-benzoyl-N,N-bis(octadec-1-enyl)benzamide.
What is the SMILES notation for 4-benzoyl-N,N-bis(octadec-1-enyl)benzamide?
The canonical SMILES for 4-benzoyl-N,N-bis(octadec-1-enyl)benzamide is CCCCCCCCCCCCCCCCC=CN(C=CCCCCCCCCCCCCCCCC)C(=O)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N,N-bis(octadec-1-enyl)benzamide?
The InChIKey is VIEQXCWBQIEIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H79NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-44-51(45-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)50(53)48-42-40-47(41-43-48)49(52)46-38-34-33-35-39-46/h33-45H,3-32H2,1-2H3.
What are the key properties of 4-benzoyl-N,N-bis(octadec-1-enyl)benzamide?
4-benzoyl-N,N-bis(octadec-1-enyl)benzamide has a molecular weight of 726.19 g/mol, XLogP of 16.13, 35 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N,N-bis(octadec-1-enyl)benzamide is sourced from PubChem (CID 139819792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).