4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide

C18H27N3O3 — CID 27743223

IUPAC4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-12(2)21-16(23)11-19-15(22)10-20-17(24)13-6-8-14(9-7-13)18(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyYGMPXIRGRZRRJT-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.35
Rot. Bonds6

About 4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide

4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide (PubChem CID 27743223) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
PubChem CID27743223
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide
SMILESCC(C)NC(=O)CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H27N3O3/c1-12(2)21-16(23)11-19-15(22)10-20-17(24)13-6-8-14(9-7-13)18(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H,20,24)(H,21,23)
InChIKeyYGMPXIRGRZRRJT-UHFFFAOYSA-N
XLogP1.35
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide with MolForge

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Related Compounds

4-tert-butyl-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51186193
3-(4-tert-butylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 9301786
4-nitro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9299693
4-(2,5-dimethylpyrrol-1-yl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 41337865
4-tert-butyl-N-[2-(3-methoxypropylamino)-2-oxoethyl]benzamide
CID 35513820
4-(methylsulfonylmethyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9301361
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-[(4-phenylbenzoyl)amino]acetate
CID 9492425
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920438
N-[2-[1-(1-benzofuran-2-yl)ethylamino]-2-oxoethyl]-4-tert-butylbenzamide
CID 46531576
4-tert-butyl-N-[2-[(1-hydroxy-2-methylpropan-2-yl)oxyamino]-2-oxoethyl]benzamide
CID 122151974
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 3-(4-tert-butylphenyl)propanoate
CID 8626203

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide (CID 27743223) is 4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide is CC(C)NC(=O)CNC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide?
The InChIKey is YGMPXIRGRZRRJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-12(2)21-16(23)11-19-15(22)10-20-17(24)13-6-8-14(9-7-13)18(3,4)5/h6-9,12H,10-11H2,1-5H3,(H,19,22)(H,20,24)(H,21,23).
What are the key properties of 4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide?
4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide has a molecular weight of 333.43 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl]benzamide is sourced from PubChem (CID 27743223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).