6-dodecyl-3,4-diethyl-2-methylbenzamide

C24H41NO — CID 174590576

IUPAC6-dodecyl-3,4-diethyl-2-methylbenzamide
SMILESCCCCCCCCCCCCc1cc(CC)c(CC)c(C)c1C(N)=O
InChIInChI=1S/C24H41NO/c1-5-8-9-10-11-12-13-14-15-16-17-21-18-20(6-2)22(7-3)19(4)23(21)24(25)26/h18H,5-17H2,1-4H3,(H2,25,26)
InChIKeySCJNLGUKIWFLNL-UHFFFAOYSA-N
MW359.60 g/mol
LogP6.68
Rot. Bonds14

About 6-dodecyl-3,4-diethyl-2-methylbenzamide

6-dodecyl-3,4-diethyl-2-methylbenzamide (PubChem CID 174590576) has the molecular formula C24H41NO and a molecular weight of 359.60 g/mol. Its IUPAC name is 6-dodecyl-3,4-diethyl-2-methylbenzamide.

Molecular Properties

Compound Name6-dodecyl-3,4-diethyl-2-methylbenzamide
PubChem CID174590576
Molecular FormulaC24H41NO
Molecular Weight359.60 g/mol
Exact Mass359.32
IUPAC Name6-dodecyl-3,4-diethyl-2-methylbenzamide
SMILESCCCCCCCCCCCCc1cc(CC)c(CC)c(C)c1C(N)=O
InChIInChI=1S/C24H41NO/c1-5-8-9-10-11-12-13-14-15-16-17-21-18-20(6-2)22(7-3)19(4)23(21)24(25)26/h18H,5-17H2,1-4H3,(H2,25,26)
InChIKeySCJNLGUKIWFLNL-UHFFFAOYSA-N
XLogP6.68
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.60
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,6-dihexylbenzene-1,3-dicarboxamide
CID 140600774
3-decylbenzene-1,2,4,5-tetracarboxamide
CID 175294645
4-ethyl-3,6-dipentylbenzene-1,2-diol
CID 87912054
2-octylbenzamide
CID 11148995
3-carbamoyl-2,6-dioctadecylbenzoic acid
CID 68723521
2,6-dibutyl-3-chloro-4-fluorobenzamide
CID 87443184
2-butyl-4,5-diethyl-3-methylphenol
CID 139832080
2,3,4-trifluoro-6-heptyl-5-octylbenzamide
CID 57359754
2-pentylnaphthalene-1-carboxamide
CID 154106171
1-ethyl-2,3-dihexadecylbenzene
CID 154356590
2-ethyl-4-methyl-6-octylbenzene-1,3-diol
CID 154087783
2,4,6-trimethyl-3-propylbenzamide
CID 57035510

Frequently Asked Questions

What is the IUPAC name of 6-dodecyl-3,4-diethyl-2-methylbenzamide?
The IUPAC name of 6-dodecyl-3,4-diethyl-2-methylbenzamide (CID 174590576) is 6-dodecyl-3,4-diethyl-2-methylbenzamide.
What is the SMILES notation for 6-dodecyl-3,4-diethyl-2-methylbenzamide?
The canonical SMILES for 6-dodecyl-3,4-diethyl-2-methylbenzamide is CCCCCCCCCCCCc1cc(CC)c(CC)c(C)c1C(N)=O.
What is the InChIKey of 6-dodecyl-3,4-diethyl-2-methylbenzamide?
The InChIKey is SCJNLGUKIWFLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO/c1-5-8-9-10-11-12-13-14-15-16-17-21-18-20(6-2)22(7-3)19(4)23(21)24(25)26/h18H,5-17H2,1-4H3,(H2,25,26).
What are the key properties of 6-dodecyl-3,4-diethyl-2-methylbenzamide?
6-dodecyl-3,4-diethyl-2-methylbenzamide has a molecular weight of 359.60 g/mol, XLogP of 6.68, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dodecyl-3,4-diethyl-2-methylbenzamide is sourced from PubChem (CID 174590576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).