[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate

C24H30N2O5 — CID 42121890

IUPAC[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H30N2O5/c1-15(2)18-6-10-20(11-7-18)26-23(28)17(5)31-22(27)14-25-24(29)19-8-12-21(13-9-19)30-16(3)4/h6-13,15-17H,14H2,1-5H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeySGFVDCWDJYGMFV-QGZVFWFLSA-N
MW426.51 g/mol
LogP3.90
Rot. Bonds9

About [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate

[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate (PubChem CID 42121890) has the molecular formula C24H30N2O5 and a molecular weight of 426.51 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
PubChem CID42121890
Molecular FormulaC24H30N2O5
Molecular Weight426.51 g/mol
Exact Mass426.22
IUPAC Name[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
SMILESCC(C)Oc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H30N2O5/c1-15(2)18-6-10-20(11-7-18)26-23(28)17(5)31-22(27)14-25-24(29)19-8-12-21(13-9-19)30-16(3)4/h6-13,15-17H,14H2,1-5H3,(H,25,29)(H,26,28)/t17-/m1/s1
InChIKeySGFVDCWDJYGMFV-QGZVFWFLSA-N
XLogP3.90
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate with MolForge

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Related Compounds

N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17234372
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882302
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7709193
[(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 7709194
[(2S)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(3-methylbenzoyl)amino]acetate
CID 9363899
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788358
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884563
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877892
[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate
CID 8920281
[1-(4-acetylanilino)-1-oxopropan-2-yl] 2-[[4-(trifluoromethyl)benzoyl]amino]acetate
CID 46791659
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110
[(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877432

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The IUPAC name of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate (CID 42121890) is [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate.
What is the SMILES notation for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The canonical SMILES for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate is CC(C)Oc1ccc(C(=O)NCC(=O)O[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
The InChIKey is SGFVDCWDJYGMFV-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H30N2O5/c1-15(2)18-6-10-20(11-7-18)26-23(28)17(5)31-22(27)14-25-24(29)19-8-12-21(13-9-19)30-16(3)4/h6-13,15-17H,14H2,1-5H3,(H,25,29)(H,26,28)/t17-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate?
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate has a molecular weight of 426.51 g/mol, XLogP of 3.90, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate is sourced from PubChem (CID 42121890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).