2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide

C24H33N3O2 — CID 91612182

IUPAC2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
SMILESCc1cc(C)c(C(=O)NCCNCCNC(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-15-11-17(3)21(18(4)12-15)23(28)26-9-7-25-8-10-27-24(29)22-19(5)13-16(2)14-20(22)6/h11-14,25H,7-10H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyJVVVXPNIYWFHSV-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.29
Rot. Bonds8

About 2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide

2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide (PubChem CID 91612182) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
PubChem CID91612182
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide
SMILESCc1cc(C)c(C(=O)NCCNCCNC(=O)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C24H33N3O2/c1-15-11-17(3)21(18(4)12-15)23(28)26-9-7-25-8-10-27-24(29)22-19(5)13-16(2)14-20(22)6/h11-14,25H,7-10H2,1-6H3,(H,26,28)(H,27,29)
InChIKeyJVVVXPNIYWFHSV-UHFFFAOYSA-N
XLogP3.29
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trimethyl-N-[3-[(2,4,6-trimethylbenzoyl)amino]propyl]benzamide
CID 132917401
N-(2-cyanoethyl)-2,4,6-trimethylbenzamide
CID 62666565
N-[2-(diethylamino)ethyl]-2,4,6-trimethylbenzamide;hydrochloride
CID 53439298
2,4,6-trimethyl-N-(2-sulfamoylethyl)benzamide
CID 61128957
2,4,6-trimethyl-N-pent-4-ynylbenzamide
CID 103867023
7-[(2,4,6-trimethylbenzoyl)amino]heptanoic acid
CID 24695626
2-methoxy-N-(2-methoxyethyl)-4,6-dimethylbenzamide
CID 110764934
2-[[2-[(2,4,6-trimethylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387599
N-(3-hydroxy-2-methylpropyl)-2,4,6-trimethylbenzamide
CID 65031669
N-(3,3-difluoro-2-hydroxypropyl)-2,4,6-trimethylbenzamide
CID 103867078
2,4,6-trimethyl-N-[3-(N-methylanilino)propyl]benzamide
CID 112810441
N-[2-(2-methoxy-5-methylphenyl)ethyl]-2,4,6-trimethylbenzamide
CID 112795580

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide?
The IUPAC name of 2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide (CID 91612182) is 2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide.
What is the SMILES notation for 2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide?
The canonical SMILES for 2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide is Cc1cc(C)c(C(=O)NCCNCCNC(=O)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide?
The InChIKey is JVVVXPNIYWFHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-15-11-17(3)21(18(4)12-15)23(28)26-9-7-25-8-10-27-24(29)22-19(5)13-16(2)14-20(22)6/h11-14,25H,7-10H2,1-6H3,(H,26,28)(H,27,29).
What are the key properties of 2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide?
2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide has a molecular weight of 395.55 g/mol, XLogP of 3.29, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-[2-[2-[(2,4,6-trimethylbenzoyl)amino]ethylamino]ethyl]benzamide is sourced from PubChem (CID 91612182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).