N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide

C17H25N3O3 — CID 26456891

IUPACN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H25N3O3/c1-11-6-12(2)8-13(7-11)16(23)19-9-14(21)18-10-15(22)20-17(3,4)5/h6-8H,9-10H2,1-5H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyVNESPWOCEDSTLW-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.06
Rot. Bonds5

About N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide

N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide (PubChem CID 26456891) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
PubChem CID26456891
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC NameN-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide
SMILESCc1cc(C)cc(C(=O)NCC(=O)NCC(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H25N3O3/c1-11-6-12(2)8-13(7-11)16(23)19-9-14(21)18-10-15(22)20-17(3,4)5/h6-8H,9-10H2,1-5H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyVNESPWOCEDSTLW-UHFFFAOYSA-N
XLogP1.06
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(tert-butylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460816
3,5-dibromo-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 103907463
3,5-dimethyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 27256307
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24710255
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3-chlorobenzamide
CID 24637788
N-[2-(butylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 34231217
N-[2-[(4-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 111480499
ethyl 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 46544273
N-[2-(tert-butylamino)-2-oxoethyl]-N,3,5-trimethylbenzamide
CID 18118094
2-bromo-N-[2-(tert-butylamino)-2-oxoethyl]pyridine-4-carboxamide
CID 103752009
N-tert-butyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812139
[2-(tert-butylamino)-2-oxoethyl] 3,5-dimethylbenzoate
CID 2520230

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The IUPAC name of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide (CID 26456891) is N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide.
What is the SMILES notation for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The canonical SMILES for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide is Cc1cc(C)cc(C(=O)NCC(=O)NCC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
The InChIKey is VNESPWOCEDSTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-11-6-12(2)8-13(7-11)16(23)19-9-14(21)18-10-15(22)20-17(3,4)5/h6-8H,9-10H2,1-5H3,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide?
N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-2-oxoethyl]-3,5-dimethylbenzamide is sourced from PubChem (CID 26456891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).