ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate

C26H34N2O4 — CID 10646692

IUPACethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(CC)cc1)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
InChIInChI=1S/C26H34N2O4/c1-8-20-10-12-21(13-11-20)24(30)27(17-23(29)32-9-2)28(26(5,6)7)25(31)22-15-18(3)14-19(4)16-22/h10-16H,8-9,17H2,1-7H3
InChIKeyCHQYAUUVVMZHSI-UHFFFAOYSA-N
MW438.57 g/mol
LogP4.73
Rot. Bonds6

About ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate

ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate (PubChem CID 10646692) has the molecular formula C26H34N2O4 and a molecular weight of 438.57 g/mol. Its IUPAC name is ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate
PubChem CID10646692
Molecular FormulaC26H34N2O4
Molecular Weight438.57 g/mol
Exact Mass438.25
IUPAC Nameethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)c1ccc(CC)cc1)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C
InChIInChI=1S/C26H34N2O4/c1-8-20-10-12-21(13-11-20)24(30)27(17-23(29)32-9-2)28(26(5,6)7)25(31)22-15-18(3)14-19(4)16-22/h10-16H,8-9,17H2,1-7H3
InChIKeyCHQYAUUVVMZHSI-UHFFFAOYSA-N
XLogP4.73
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.57
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

iodomethyl N-tert-butyl-N-[(3,5-dimethylbenzoyl)-(4-ethylbenzoyl)amino]carbamate
CID 70212681
[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]methyl 3,7-dichloroquinoline-8-carboxylate
CID 70215448
ethyl 2-[ethyl-(4-ethylbenzoyl)amino]acetate
CID 54900748
N'-tert-butyl-N-(2,4-dichlorophenoxy)sulfanyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
CID 24971023
butyl 3-[2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]-2-oxoacetyl]oxybenzoate
CID 11456184
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
N'-benzoyl-N'-tert-butyl-N-ethylbenzohydrazide
CID 19752906
N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide
CID 70240593
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
N-(4-amino-2,2-dimethylbutyl)-4-ethylbenzamide
CID 114148877
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan
CID 89310943
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate?
The IUPAC name of ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate (CID 10646692) is ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate?
The canonical SMILES for ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate is CCOC(=O)CN(C(=O)c1ccc(CC)cc1)N(C(=O)c1cc(C)cc(C)c1)C(C)(C)C.
What is the InChIKey of ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate?
The InChIKey is CHQYAUUVVMZHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4/c1-8-20-10-12-21(13-11-20)24(30)27(17-23(29)32-9-2)28(26(5,6)7)25(31)22-15-18(3)14-19(4)16-22/h10-16H,8-9,17H2,1-7H3.
What are the key properties of ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate?
ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate has a molecular weight of 438.57 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[tert-butyl-(3,5-dimethylbenzoyl)amino]-(4-ethylbenzoyl)amino]acetate is sourced from PubChem (CID 10646692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).