[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate

C24H28N2O5 — CID 42963490

IUPAC[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C24H28N2O5/c1-15(27)18-7-6-8-20(13-18)26-22(29)16(2)31-21(28)14-25-23(30)17-9-11-19(12-10-17)24(3,4)5/h6-13,16H,14H2,1-5H3,(H,25,30)(H,26,29)
InChIKeyVZBFASMIMDXKJA-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.49
Rot. Bonds7

About [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate

[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate (PubChem CID 42963490) has the molecular formula C24H28N2O5 and a molecular weight of 424.50 g/mol. Its IUPAC name is [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
PubChem CID42963490
Molecular FormulaC24H28N2O5
Molecular Weight424.50 g/mol
Exact Mass424.20
IUPAC Name[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
SMILESCC(=O)c1cccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C24H28N2O5/c1-15(27)18-7-6-8-20(13-18)26-22(29)16(2)31-21(28)14-25-23(30)17-9-11-19(12-10-17)24(3,4)5/h6-13,16H,14H2,1-5H3,(H,25,30)(H,26,29)
InChIKeyVZBFASMIMDXKJA-UHFFFAOYSA-N
XLogP3.49
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate with MolForge

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Related Compounds

[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-chlorobenzoyl)amino]acetate
CID 7878422
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 7831456
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920281
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920684
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 46791659
[2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 4104729
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7709194
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7709193
[(2S)-1-anilino-1-oxopropan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363857
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7847996
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884563
N-(3-acetylphenyl)-4-tert-butylbenzamide
CID 722882

Frequently Asked Questions

What is the IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The IUPAC name of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate (CID 42963490) is [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate.
What is the SMILES notation for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The canonical SMILES for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate is CC(=O)c1cccc(NC(=O)C(C)OC(=O)CNC(=O)c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate?
The InChIKey is VZBFASMIMDXKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5/c1-15(27)18-7-6-8-20(13-18)26-22(29)16(2)31-21(28)14-25-23(30)17-9-11-19(12-10-17)24(3,4)5/h6-13,16H,14H2,1-5H3,(H,25,30)(H,26,29).
What are the key properties of [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate?
[1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate has a molecular weight of 424.50 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate is sourced from PubChem (CID 42963490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).